tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid

C148H181Cl6N15O30 — CID 159316199

IUPACtert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid
SMILESCC(C(=O)O)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CCOC(=O)C(C)(C)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CCOC(=O)C(C)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CCOC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(OCC(C)c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(OCC(C)c2ccc3c(n2)NCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C33H37Cl2N3O6.C28H29Cl2N3O4.C19H28N2O4.C18H26N2O4.C17H15Cl2NO4.C17H24N2O4.C16H22N2O4/c1-20(26-16-13-22-8-7-17-38(29(22)36-26)32(41)44-33(2,3)4)19-43-23-14-11-21(12-15-23)18-27(31(40)42-5)37-30(39)28-24(34)9-6-10-25(28)35;1-17(23-13-10-19-5-4-14-31-26(19)32-23)16-37-20-11-8-18(9-12-20)15-24(28(35)36-2)33-27(34)25-21(29)6-3-7-22(25)30;1-7-24-16(22)19(5,6)14-11-10-13-9-8-12-21(15(13)20-14)17(23)25-18(2,3)4;1-6-23-16(21)12(2)14-10-9-13-8-7-11-20(15(13)19-14)17(22)24-18(3,4)5;1-24-17(23)14(9-10-5-7-11(21)8-6-10)20-16(22)15-12(18)3-2-4-13(15)19;1-5-22-14(20)11-13-9-8-12-7-6-10-19(15(12)18-13)16(21)23-17(2,3)4;1-10(14(19)20)12-8-7-11-6-5-9-18(13(11)17-12)15(21)22-16(2,3)4/h6,9-16,20,27H,7-8,17-19H2,1-5H3,(H,37,39);3,6-13,17,24H,4-5,14-16H2,1-2H3,(H,31,32)(H,33,34);10-11H,7-9,12H2,1-6H3;9-10,12H,6-8,11H2,1-5H3;2-8,14,21H,9H2,1H3,(H,20,22);8-9H,5-7,10-11H2,1-4H3;7-8,10H,5-6,9H2,1-4H3,(H,19,20)/t20?,27-;17?,24-;;;14-;;/m00..0../s1
InChIKeyLDDYLGZPFNMMBB-HXDDDTDWSA-N
MW2862.87 g/mol
LogP28.31
Rot. Bonds34

About tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid

tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid (PubChem CID 159316199) has the molecular formula C148H181Cl6N15O30 and a molecular weight of 2862.87 g/mol. Its IUPAC name is tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid.

Molecular Properties

Compound Nametert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid
PubChem CID159316199
Molecular FormulaC148H181Cl6N15O30
Molecular Weight2862.87 g/mol
Exact Mass2858.12
IUPAC Nametert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid
SMILESCC(C(=O)O)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CCOC(=O)C(C)(C)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CCOC(=O)C(C)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CCOC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(OCC(C)c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(OCC(C)c2ccc3c(n2)NCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C33H37Cl2N3O6.C28H29Cl2N3O4.C19H28N2O4.C18H26N2O4.C17H15Cl2NO4.C17H24N2O4.C16H22N2O4/c1-20(26-16-13-22-8-7-17-38(29(22)36-26)32(41)44-33(2,3)4)19-43-23-14-11-21(12-15-23)18-27(31(40)42-5)37-30(39)28-24(34)9-6-10-25(28)35;1-17(23-13-10-19-5-4-14-31-26(19)32-23)16-37-20-11-8-18(9-12-20)15-24(28(35)36-2)33-27(34)25-21(29)6-3-7-22(25)30;1-7-24-16(22)19(5,6)14-11-10-13-9-8-12-21(15(13)20-14)17(23)25-18(2,3)4;1-6-23-16(21)12(2)14-10-9-13-8-7-11-20(15(13)19-14)17(22)24-18(3,4)5;1-24-17(23)14(9-10-5-7-11(21)8-6-10)20-16(22)15-12(18)3-2-4-13(15)19;1-5-22-14(20)11-13-9-8-12-7-6-10-19(15(12)18-13)16(21)23-17(2,3)4;1-10(14(19)20)12-8-7-11-6-5-9-18(13(11)17-12)15(21)22-16(2,3)4/h6,9-16,20,27H,7-8,17-19H2,1-5H3,(H,37,39);3,6-13,17,24H,4-5,14-16H2,1-2H3,(H,31,32)(H,33,34);10-11H,7-9,12H2,1-6H3;9-10,12H,6-8,11H2,1-5H3;2-8,14,21H,9H2,1H3,(H,20,22);8-9H,5-7,10-11H2,1-4H3;7-8,10H,5-6,9H2,1-4H3,(H,19,20)/t20?,27-;17?,24-;;;14-;;/m00..0../s1
InChIKeyLDDYLGZPFNMMBB-HXDDDTDWSA-N
XLogP28.31
TPSA558.16 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002862.87
LogP ≤ 528.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid?
The IUPAC name of tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid (CID 159316199) is tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid.
What is the SMILES notation for tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid?
The canonical SMILES for tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid is CC(C(=O)O)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CCOC(=O)C(C)(C)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CCOC(=O)C(C)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CCOC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(OCC(C)c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(OCC(C)c2ccc3c(n2)NCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid?
The InChIKey is LDDYLGZPFNMMBB-HXDDDTDWSA-N. The full InChI is InChI=1S/C33H37Cl2N3O6.C28H29Cl2N3O4.C19H28N2O4.C18H26N2O4.C17H15Cl2NO4.C17H24N2O4.C16H22N2O4/c1-20(26-16-13-22-8-7-17-38(29(22)36-26)32(41)44-33(2,3)4)19-43-23-14-11-21(12-15-23)18-27(31(40)42-5)37-30(39)28-24(34)9-6-10-25(28)35;1-17(23-13-10-19-5-4-14-31-26(19)32-23)16-37-20-11-8-18(9-12-20)15-24(28(35)36-2)33-27(34)25-21(29)6-3-7-22(25)30;1-7-24-16(22)19(5,6)14-11-10-13-9-8-12-21(15(13)20-14)17(23)25-18(2,3)4;1-6-23-16(21)12(2)14-10-9-13-8-7-11-20(15(13)19-14)17(22)24-18(3,4)5;1-24-17(23)14(9-10-5-7-11(21)8-6-10)20-16(22)15-12(18)3-2-4-13(15)19;1-5-22-14(20)11-13-9-8-12-7-6-10-19(15(12)18-13)16(21)23-17(2,3)4;1-10(14(19)20)12-8-7-11-6-5-9-18(13(11)17-12)15(21)22-16(2,3)4/h6,9-16,20,27H,7-8,17-19H2,1-5H3,(H,37,39);3,6-13,17,24H,4-5,14-16H2,1-2H3,(H,31,32)(H,33,34);10-11H,7-9,12H2,1-6H3;9-10,12H,6-8,11H2,1-5H3;2-8,14,21H,9H2,1H3,(H,20,22);8-9H,5-7,10-11H2,1-4H3;7-8,10H,5-6,9H2,1-4H3,(H,19,20)/t20?,27-;17?,24-;;;14-;;/m00..0../s1.
What are the key properties of tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid?
tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid has a molecular weight of 2862.87 g/mol, XLogP of 28.31, 34 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]propan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid is sourced from PubChem (CID 159316199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).