2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride

C247H387Cl3F34N10O46P2S2 — CID 159470911

IUPAC2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride
SMILESCCCCCCCOc1ccc(CCC(CCF)(COP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC(CCOC2CCCCO2)(COCOC)NC(=O)OC(C)(C)C)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC(N)(CCF)COP(=O)(O)O)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC(N)(CO)CCF)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC(N)(CO)CCO)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC2(CCF)COC(C)=N2)cc1C(F)(F)F.CCCCCCCSc1ccc(CCC(CO)(CO)NC(=O)OC(C)(C)C)cc1C(F)(F)F.CCCCCCCSc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F.COCOCC(CCOC1CCCCO1)(CCc1ccc(O)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C.COCOCC(CCOC1CCCCO1)(CCc1ccc(OCc2ccccc2)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C.Cl.Cl.Cl
InChIInChI=1S/C33H56F4NO7P.C32H44F3NO7.C32H52F3NO7.C25H38F3NO7.C24H38F3NO4S.C22H31F4NO2.C20H32F4NO5P.C20H31F4NO2.C20H32F3NO3.C19H30F3NO2S.3ClH/c1-11-12-13-14-15-22-41-27-17-16-25(23-26(27)33(35,36)37)18-19-32(20-21-34,38-28(39)43-29(2,3)4)24-42-46(40,44-30(5,6)7)45-31(8,9)10;1-30(2,3)43-29(37)36-31(22-39-23-38-4,17-19-41-28-12-8-9-18-40-28)16-15-24-13-14-27(26(20-24)32(33,34)35)42-21-25-10-6-5-7-11-25;1-6-7-8-9-11-19-40-27-15-14-25(22-26(27)32(33,34)35)16-17-31(23-39-24-38-5,36-29(37)43-30(2,3)4)18-21-42-28-13-10-12-20-41-28;1-23(2,3)36-22(31)29-24(16-33-17-32-4,12-14-35-21-7-5-6-13-34-21)11-10-18-8-9-20(30)19(15-18)25(26,27)28;1-5-6-7-8-9-14-33-20-11-10-18(15-19(20)24(25,26)27)12-13-23(16-29,17-30)28-21(31)32-22(2,3)4;1-3-4-5-6-7-14-28-20-9-8-18(15-19(20)22(24,25)26)10-11-21(12-13-23)16-29-17(2)27-21;1-2-3-4-5-6-13-29-18-8-7-16(14-17(18)20(22,23)24)9-10-19(25,11-12-21)15-30-31(26,27)28;1-2-3-4-5-6-13-27-18-8-7-16(14-17(18)20(22,23)24)9-10-19(25,15-26)11-12-21;1-2-3-4-5-6-13-27-18-8-7-16(14-17(18)20(21,22)23)9-10-19(24,15-26)11-12-25;1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25;;;/h16-17,23H,11-15,18-22,24H2,1-10H3,(H,38,39);5-7,10-11,13-14,20,28H,8-9,12,15-19,21-23H2,1-4H3,(H,36,37);14-15,22,28H,6-13,16-21,23-24H2,1-5H3,(H,36,37);8-9,15,21,30H,5-7,10-14,16-17H2,1-4H3,(H,29,31);10-11,15,29-30H,5-9,12-14,16-17H2,1-4H3,(H,28,31);8-9,15H,3-7,10-14,16H2,1-2H3;7-8,14H,2-6,9-13,15,25H2,1H3,(H2,26,27,28);7-8,14,26H,2-6,9-13,15,25H2,1H3;7-8,14,25-26H,2-6,9-13,15,24H2,1H3;7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3;3*1H
InChIKeyNQKZRPZUUNRKJU-UHFFFAOYSA-N
MW5111.21 g/mol
LogP62.75
Rot. Bonds142

About 2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride

2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride (PubChem CID 159470911) has the molecular formula C247H387Cl3F34N10O46P2S2 and a molecular weight of 5111.21 g/mol. Its IUPAC name is 2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride.

Molecular Properties

Compound Name2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride
PubChem CID159470911
Molecular FormulaC247H387Cl3F34N10O46P2S2
Molecular Weight5111.21 g/mol
Exact Mass5106.57
IUPAC Name2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride
SMILESCCCCCCCOc1ccc(CCC(CCF)(COP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC(CCOC2CCCCO2)(COCOC)NC(=O)OC(C)(C)C)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC(N)(CCF)COP(=O)(O)O)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC(N)(CO)CCF)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC(N)(CO)CCO)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC2(CCF)COC(C)=N2)cc1C(F)(F)F.CCCCCCCSc1ccc(CCC(CO)(CO)NC(=O)OC(C)(C)C)cc1C(F)(F)F.CCCCCCCSc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F.COCOCC(CCOC1CCCCO1)(CCc1ccc(O)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C.COCOCC(CCOC1CCCCO1)(CCc1ccc(OCc2ccccc2)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C.Cl.Cl.Cl
InChIInChI=1S/C33H56F4NO7P.C32H44F3NO7.C32H52F3NO7.C25H38F3NO7.C24H38F3NO4S.C22H31F4NO2.C20H32F4NO5P.C20H31F4NO2.C20H32F3NO3.C19H30F3NO2S.3ClH/c1-11-12-13-14-15-22-41-27-17-16-25(23-26(27)33(35,36)37)18-19-32(20-21-34,38-28(39)43-29(2,3)4)24-42-46(40,44-30(5,6)7)45-31(8,9)10;1-30(2,3)43-29(37)36-31(22-39-23-38-4,17-19-41-28-12-8-9-18-40-28)16-15-24-13-14-27(26(20-24)32(33,34)35)42-21-25-10-6-5-7-11-25;1-6-7-8-9-11-19-40-27-15-14-25(22-26(27)32(33,34)35)16-17-31(23-39-24-38-5,36-29(37)43-30(2,3)4)18-21-42-28-13-10-12-20-41-28;1-23(2,3)36-22(31)29-24(16-33-17-32-4,12-14-35-21-7-5-6-13-34-21)11-10-18-8-9-20(30)19(15-18)25(26,27)28;1-5-6-7-8-9-14-33-20-11-10-18(15-19(20)24(25,26)27)12-13-23(16-29,17-30)28-21(31)32-22(2,3)4;1-3-4-5-6-7-14-28-20-9-8-18(15-19(20)22(24,25)26)10-11-21(12-13-23)16-29-17(2)27-21;1-2-3-4-5-6-13-29-18-8-7-16(14-17(18)20(22,23)24)9-10-19(25,11-12-21)15-30-31(26,27)28;1-2-3-4-5-6-13-27-18-8-7-16(14-17(18)20(22,23)24)9-10-19(25,15-26)11-12-21;1-2-3-4-5-6-13-27-18-8-7-16(14-17(18)20(21,22)23)9-10-19(24,15-26)11-12-25;1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25;;;/h16-17,23H,11-15,18-22,24H2,1-10H3,(H,38,39);5-7,10-11,13-14,20,28H,8-9,12,15-19,21-23H2,1-4H3,(H,36,37);14-15,22,28H,6-13,16-21,23-24H2,1-5H3,(H,36,37);8-9,15,21,30H,5-7,10-14,16-17H2,1-4H3,(H,29,31);10-11,15,29-30H,5-9,12-14,16-17H2,1-4H3,(H,28,31);8-9,15H,3-7,10-14,16H2,1-2H3;7-8,14H,2-6,9-13,15,25H2,1H3,(H2,26,27,28);7-8,14,26H,2-6,9-13,15,25H2,1H3;7-8,14,25-26H,2-6,9-13,15,24H2,1H3;7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3;3*1H
InChIKeyNQKZRPZUUNRKJU-UHFFFAOYSA-N
XLogP62.75
TPSA766.05 Ų
H-Bond Donors19
H-Bond Acceptors51
Rotatable Bonds142
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005111.21
LogP ≤ 562.75
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1051

Analyze 2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride with MolForge

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Related Compounds

2-amino-2-[2-[4-hexoxy-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;[2-amino-4-[4-hexoxy-3-(trifluoromethyl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate;[2-amino-2-(hydroxymethyl)-4-[4-octoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate;tert-butyl N-[4-[4-heptoxy-3-(trifluoromethyl)phenyl]-1-(methoxymethoxy)-2-methylbutan-2-yl]carbamate;tert-butyl N-[5-[2-[4-hexoxy-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-yl]carbamate;tert-butyl N-[1-hydroxy-3-(methoxymethoxy)-2-methylpropan-2-yl]carbamate;tert-butyl N-[4-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-(methoxymethoxy)-2-methylbutan-2-yl]carbamate;tert-butyl N-[1-(methoxymethoxy)-2-methyl-3-oxopropan-2-yl]carbamate;ditert-butyl [4-[2-[4-hexoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methyl phosphate;hydrochloride
CID 161184345
ditert-butyl [2-methyl-4-[2-[4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methyl phosphate
CID 59407831
tert-butyl [4-[2-[4-[3-(4-ethylphenyl)propoxy]-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methyl hydrogen phosphate
CID 146956733
tert-butyl N-[3-(methoxymethoxymethyl)-1-[4-[3-(3-methylphenyl)propoxy]-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate
CID 66593920
ditert-butyl [2-methyl-4-[2-[4-[3-(2-methylphenyl)propoxy]-3-(trifluoromethyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methyl phosphate
CID 59407501
ditert-butyl [4-[2-[4-[3-(3-chlorophenyl)propoxy]-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methyl phosphate
CID 59407874
ditert-butyl [4-[2-[4-[3-(2,3-dimethylphenyl)propoxy]-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methyl phosphate
CID 59407846
[2-methyl-4-[2-[4-octoxy-3-(trifluoromethyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanolate
CID 143486199
ditert-butyl [4-[2-[4-[3-(4-fluoro-3-methylphenyl)propoxy]-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methyl phosphate
CID 59407612
ditert-butyl [4-[2-[4-[3-(2,3-dichlorophenyl)propoxy]-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methyl phosphate
CID 59407689
tert-butyl N-[3-(methoxymethoxymethyl)-1-[4-[3-[3-(trifluoromethoxy)phenyl]propoxy]-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate
CID 86643455
tert-butyl N-[4-[4-[3-(3,4-dichlorophenyl)propoxy]-3-(trifluoromethyl)phenyl]-1-(methoxymethoxy)-2-methylbutan-2-yl]carbamate
CID 59407830

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride?
The IUPAC name of 2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride (CID 159470911) is 2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride.
What is the SMILES notation for 2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride?
The canonical SMILES for 2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride is CCCCCCCOc1ccc(CCC(CCF)(COP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC(CCOC2CCCCO2)(COCOC)NC(=O)OC(C)(C)C)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC(N)(CCF)COP(=O)(O)O)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC(N)(CO)CCF)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC(N)(CO)CCO)cc1C(F)(F)F.CCCCCCCOc1ccc(CCC2(CCF)COC(C)=N2)cc1C(F)(F)F.CCCCCCCSc1ccc(CCC(CO)(CO)NC(=O)OC(C)(C)C)cc1C(F)(F)F.CCCCCCCSc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F.COCOCC(CCOC1CCCCO1)(CCc1ccc(O)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C.COCOCC(CCOC1CCCCO1)(CCc1ccc(OCc2ccccc2)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C.Cl.Cl.Cl.
What is the InChIKey of 2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride?
The InChIKey is NQKZRPZUUNRKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56F4NO7P.C32H44F3NO7.C32H52F3NO7.C25H38F3NO7.C24H38F3NO4S.C22H31F4NO2.C20H32F4NO5P.C20H31F4NO2.C20H32F3NO3.C19H30F3NO2S.3ClH/c1-11-12-13-14-15-22-41-27-17-16-25(23-26(27)33(35,36)37)18-19-32(20-21-34,38-28(39)43-29(2,3)4)24-42-46(40,44-30(5,6)7)45-31(8,9)10;1-30(2,3)43-29(37)36-31(22-39-23-38-4,17-19-41-28-12-8-9-18-40-28)16-15-24-13-14-27(26(20-24)32(33,34)35)42-21-25-10-6-5-7-11-25;1-6-7-8-9-11-19-40-27-15-14-25(22-26(27)32(33,34)35)16-17-31(23-39-24-38-5,36-29(37)43-30(2,3)4)18-21-42-28-13-10-12-20-41-28;1-23(2,3)36-22(31)29-24(16-33-17-32-4,12-14-35-21-7-5-6-13-34-21)11-10-18-8-9-20(30)19(15-18)25(26,27)28;1-5-6-7-8-9-14-33-20-11-10-18(15-19(20)24(25,26)27)12-13-23(16-29,17-30)28-21(31)32-22(2,3)4;1-3-4-5-6-7-14-28-20-9-8-18(15-19(20)22(24,25)26)10-11-21(12-13-23)16-29-17(2)27-21;1-2-3-4-5-6-13-29-18-8-7-16(14-17(18)20(22,23)24)9-10-19(25,11-12-21)15-30-31(26,27)28;1-2-3-4-5-6-13-27-18-8-7-16(14-17(18)20(22,23)24)9-10-19(25,15-26)11-12-21;1-2-3-4-5-6-13-27-18-8-7-16(14-17(18)20(21,22)23)9-10-19(24,15-26)11-12-25;1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25;;;/h16-17,23H,11-15,18-22,24H2,1-10H3,(H,38,39);5-7,10-11,13-14,20,28H,8-9,12,15-19,21-23H2,1-4H3,(H,36,37);14-15,22,28H,6-13,16-21,23-24H2,1-5H3,(H,36,37);8-9,15,21,30H,5-7,10-14,16-17H2,1-4H3,(H,29,31);10-11,15,29-30H,5-9,12-14,16-17H2,1-4H3,(H,28,31);8-9,15H,3-7,10-14,16H2,1-2H3;7-8,14H,2-6,9-13,15,25H2,1H3,(H2,26,27,28);7-8,14,26H,2-6,9-13,15,25H2,1H3;7-8,14,25-26H,2-6,9-13,15,24H2,1H3;7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3;3*1H.
What are the key properties of 2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride?
2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride has a molecular weight of 5111.21 g/mol, XLogP of 62.75, 142 rotatable bonds, 19 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butan-1-ol;[2-amino-2-(2-fluoroethyl)-4-[4-heptoxy-3-(trifluoromethyl)phenyl]butyl] dihydrogen phosphate;2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]butane-1,4-diol;2-amino-2-[2-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;tert-butyl N-[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-1-fluoro-5-[4-heptoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;tert-butyl N-[1-[4-heptoxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[4-[4-heptylsulfanyl-3-(trifluoromethyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate;tert-butyl N-[1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methoxymethoxymethyl)-5-(oxan-2-yloxy)pentan-3-yl]carbamate;tert-butyl N-[3-(methoxymethoxymethyl)-1-(oxan-2-yloxy)-5-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pentan-3-yl]carbamate;4-(2-fluoroethyl)-4-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazole;trihydrochloride is sourced from PubChem (CID 159470911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).