4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide)

C265H304ClN43O40 — CID 157184259

IUPAC4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide)
SMILESCCCCCCCCCCC(=O)Nc1nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nc(N(CC)CC)n1.CCCCCCCCN(CCCCCCCC)c1nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nc(N(CC)CC)n1.CCCCCCNc1nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nc(N(CC)CC)n1.CCN(CC)c1nc(Cl)nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)n1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2ccccc2O)c1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2ccccc2O)c1.Cc1ccc(O)c(NC(=O)C(=O)Nc2c(C)cccc2C)c1.Cc1cccc(C)c1NC(=O)C(=O)Nc1ccccc1O.O=c1nc(N(CCCCO)CCCCO)nc(Nc2ccc3cc(-c4ccccn4)c(=O)oc3c2)[nH]1
InChIInChI=1S/C38H54N6O2.C33H42N6O3.C28H34N6O2.C25H28N6O5.C22H20ClN5O2.3C18H20N2O4.C17H18N2O3.2C16H16N2O4.C16H16N2O3/c1-5-9-11-13-15-20-26-44(27-21-16-14-12-10-6-2)38-41-36(40-37(42-38)43(7-3)8-4)39-32-25-24-31-28-33(30-22-18-17-19-23-30)35(45)46-34(31)29-32;1-4-7-8-9-10-11-12-16-19-29(40)35-32-36-31(37-33(38-32)39(5-2)6-3)34-26-21-20-25-22-27(24-17-14-13-15-18-24)30(41)42-28(25)23-26;1-4-7-8-12-17-29-26-31-27(33-28(32-26)34(5-2)6-3)30-22-16-15-21-18-23(20-13-10-9-11-14-20)25(35)36-24(21)19-22;32-13-5-3-11-31(12-4-6-14-33)24-28-23(29-25(35)30-24)27-18-9-8-17-15-19(20-7-1-2-10-26-20)22(34)36-21(17)16-18;1-3-28(4-2)22-26-20(23)25-21(27-22)24-16-11-10-15-12-17(14-8-6-5-7-9-14)19(29)30-18(15)13-16;3*1-9-5-11(3)15(21)13(7-9)19-17(23)18(24)20-14-8-10(2)6-12(4)16(14)22;1-10-7-8-14(20)13(9-10)18-16(21)17(22)19-15-11(2)5-4-6-12(15)3;2*1-9-7-10(2)14(20)12(8-9)18-16(22)15(21)17-11-5-3-4-6-13(11)19;1-10-6-5-7-11(2)14(10)18-16(21)15(20)17-12-8-3-4-9-13(12)19/h17-19,22-25,28-29H,5-16,20-21,26-27H2,1-4H3,(H,39,40,41,42);13-15,17-18,20-23H,4-12,16,19H2,1-3H3,(H2,34,35,36,37,38,40);9-11,13-16,18-19H,4-8,12,17H2,1-3H3,(H2,29,30,31,32,33);1-2,7-10,15-16,32-33H,3-6,11-14H2,(H2,27,28,29,30,35);5-13H,3-4H2,1-2H3,(H,24,25,26,27);3*5-8,21-22H,1-4H3,(H,19,23)(H,20,24);4-9,20H,1-3H3,(H,18,21)(H,19,22);2*3-8,19-20H,1-2H3,(H,17,21)(H,18,22);3-9,19H,1-2H3,(H,17,20)(H,18,21)
InChIKeyAOXWRSIYFUXDHH-UHFFFAOYSA-N
MW4767.06 g/mol
LogP49.80
Rot. Bonds81

About 4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide)

4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide) (PubChem CID 157184259) has the molecular formula C265H304ClN43O40 and a molecular weight of 4767.06 g/mol. Its IUPAC name is 4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide).

Molecular Properties

Compound Name4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide)
PubChem CID157184259
Molecular FormulaC265H304ClN43O40
Molecular Weight4767.06 g/mol
Exact Mass4763.28
IUPAC Name4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide)
SMILESCCCCCCCCCCC(=O)Nc1nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nc(N(CC)CC)n1.CCCCCCCCN(CCCCCCCC)c1nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nc(N(CC)CC)n1.CCCCCCNc1nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nc(N(CC)CC)n1.CCN(CC)c1nc(Cl)nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)n1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2ccccc2O)c1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2ccccc2O)c1.Cc1ccc(O)c(NC(=O)C(=O)Nc2c(C)cccc2C)c1.Cc1cccc(C)c1NC(=O)C(=O)Nc1ccccc1O.O=c1nc(N(CCCCO)CCCCO)nc(Nc2ccc3cc(-c4ccccn4)c(=O)oc3c2)[nH]1
InChIInChI=1S/C38H54N6O2.C33H42N6O3.C28H34N6O2.C25H28N6O5.C22H20ClN5O2.3C18H20N2O4.C17H18N2O3.2C16H16N2O4.C16H16N2O3/c1-5-9-11-13-15-20-26-44(27-21-16-14-12-10-6-2)38-41-36(40-37(42-38)43(7-3)8-4)39-32-25-24-31-28-33(30-22-18-17-19-23-30)35(45)46-34(31)29-32;1-4-7-8-9-10-11-12-16-19-29(40)35-32-36-31(37-33(38-32)39(5-2)6-3)34-26-21-20-25-22-27(24-17-14-13-15-18-24)30(41)42-28(25)23-26;1-4-7-8-12-17-29-26-31-27(33-28(32-26)34(5-2)6-3)30-22-16-15-21-18-23(20-13-10-9-11-14-20)25(35)36-24(21)19-22;32-13-5-3-11-31(12-4-6-14-33)24-28-23(29-25(35)30-24)27-18-9-8-17-15-19(20-7-1-2-10-26-20)22(34)36-21(17)16-18;1-3-28(4-2)22-26-20(23)25-21(27-22)24-16-11-10-15-12-17(14-8-6-5-7-9-14)19(29)30-18(15)13-16;3*1-9-5-11(3)15(21)13(7-9)19-17(23)18(24)20-14-8-10(2)6-12(4)16(14)22;1-10-7-8-14(20)13(9-10)18-16(21)17(22)19-15-11(2)5-4-6-12(15)3;2*1-9-7-10(2)14(20)12(8-9)18-16(22)15(21)17-11-5-3-4-6-13(11)19;1-10-6-5-7-11(2)14(10)18-16(21)15(20)17-12-8-3-4-9-13(12)19/h17-19,22-25,28-29H,5-16,20-21,26-27H2,1-4H3,(H,39,40,41,42);13-15,17-18,20-23H,4-12,16,19H2,1-3H3,(H2,34,35,36,37,38,40);9-11,13-16,18-19H,4-8,12,17H2,1-3H3,(H2,29,30,31,32,33);1-2,7-10,15-16,32-33H,3-6,11-14H2,(H2,27,28,29,30,35);5-13H,3-4H2,1-2H3,(H,24,25,26,27);3*5-8,21-22H,1-4H3,(H,19,23)(H,20,24);4-9,20H,1-3H3,(H,18,21)(H,19,22);2*3-8,19-20H,1-2H3,(H,17,21)(H,18,22);3-9,19H,1-2H3,(H,17,20)(H,18,21)
InChIKeyAOXWRSIYFUXDHH-UHFFFAOYSA-N
XLogP49.80
TPSA1188.60 Ų
H-Bond Donors36
H-Bond Acceptors67
Rotatable Bonds81
Heavy Atoms349
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004767.06
LogP ≤ 549.80
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1067

Analyze 4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide)?
The IUPAC name of 4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide) (CID 157184259) is 4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide).
What is the SMILES notation for 4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide)?
The canonical SMILES for 4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide) is CCCCCCCCCCC(=O)Nc1nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nc(N(CC)CC)n1.CCCCCCCCN(CCCCCCCC)c1nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nc(N(CC)CC)n1.CCCCCCNc1nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nc(N(CC)CC)n1.CCN(CC)c1nc(Cl)nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)n1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2cc(C)cc(C)c2O)c1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2ccccc2O)c1.Cc1cc(C)c(O)c(NC(=O)C(=O)Nc2ccccc2O)c1.Cc1ccc(O)c(NC(=O)C(=O)Nc2c(C)cccc2C)c1.Cc1cccc(C)c1NC(=O)C(=O)Nc1ccccc1O.O=c1nc(N(CCCCO)CCCCO)nc(Nc2ccc3cc(-c4ccccn4)c(=O)oc3c2)[nH]1.
What is the InChIKey of 4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide)?
The InChIKey is AOXWRSIYFUXDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54N6O2.C33H42N6O3.C28H34N6O2.C25H28N6O5.C22H20ClN5O2.3C18H20N2O4.C17H18N2O3.2C16H16N2O4.C16H16N2O3/c1-5-9-11-13-15-20-26-44(27-21-16-14-12-10-6-2)38-41-36(40-37(42-38)43(7-3)8-4)39-32-25-24-31-28-33(30-22-18-17-19-23-30)35(45)46-34(31)29-32;1-4-7-8-9-10-11-12-16-19-29(40)35-32-36-31(37-33(38-32)39(5-2)6-3)34-26-21-20-25-22-27(24-17-14-13-15-18-24)30(41)42-28(25)23-26;1-4-7-8-12-17-29-26-31-27(33-28(32-26)34(5-2)6-3)30-22-16-15-21-18-23(20-13-10-9-11-14-20)25(35)36-24(21)19-22;32-13-5-3-11-31(12-4-6-14-33)24-28-23(29-25(35)30-24)27-18-9-8-17-15-19(20-7-1-2-10-26-20)22(34)36-21(17)16-18;1-3-28(4-2)22-26-20(23)25-21(27-22)24-16-11-10-15-12-17(14-8-6-5-7-9-14)19(29)30-18(15)13-16;3*1-9-5-11(3)15(21)13(7-9)19-17(23)18(24)20-14-8-10(2)6-12(4)16(14)22;1-10-7-8-14(20)13(9-10)18-16(21)17(22)19-15-11(2)5-4-6-12(15)3;2*1-9-7-10(2)14(20)12(8-9)18-16(22)15(21)17-11-5-3-4-6-13(11)19;1-10-6-5-7-11(2)14(10)18-16(21)15(20)17-12-8-3-4-9-13(12)19/h17-19,22-25,28-29H,5-16,20-21,26-27H2,1-4H3,(H,39,40,41,42);13-15,17-18,20-23H,4-12,16,19H2,1-3H3,(H2,34,35,36,37,38,40);9-11,13-16,18-19H,4-8,12,17H2,1-3H3,(H2,29,30,31,32,33);1-2,7-10,15-16,32-33H,3-6,11-14H2,(H2,27,28,29,30,35);5-13H,3-4H2,1-2H3,(H,24,25,26,27);3*5-8,21-22H,1-4H3,(H,19,23)(H,20,24);4-9,20H,1-3H3,(H,18,21)(H,19,22);2*3-8,19-20H,1-2H3,(H,17,21)(H,18,22);3-9,19H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide)?
4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide) has a molecular weight of 4767.06 g/mol, XLogP of 49.80, 81 rotatable bonds, 36 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-hydroxybutyl)amino]-6-[(2-oxo-3-pyridin-2-ylchromen-7-yl)amino]-1H-1,3,5-triazin-2-one;tris(N,N'-bis(2-hydroxy-3,5-dimethylphenyl)oxamide);7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(dioctylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;7-[[4-(diethylamino)-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one;N-[4-(diethylamino)-6-[(2-oxo-3-phenylchromen-7-yl)amino]-1,3,5-triazin-2-yl]undecanamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)oxamide;N'-(2,6-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide;bis(N'-(2-hydroxy-3,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide) is sourced from PubChem (CID 157184259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).