2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide

C164H164N20O19S9 — CID 159439882

About 2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide

2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide (PubChem CID 159439882) has the molecular formula C164H164N20O19S9 and a molecular weight of 3007.84 g/mol. Its IUPAC name is 2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide
• PubChem CID: 159439882
• Molecular Formula: C164H164N20O19S9
• Molecular Weight: 3007.84 g/mol
• Exact Mass: 3005.00
• IUPAC Name: 2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide
• SMILES: C=C[C@@H](CNS(=O)(=O)c1ccc(C)cc1)[C@H]1CCN2C(=O)S[C@@H](c3ccnc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCN2C(=O)S[C@@H](c3ccnc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](CNS(=O)(=O)c1ccc(Oc2ccccc2)nc1)[C@H]1CCN2C(=O)S[C@@H](c3ccnc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](CNS(=O)(=O)c1cccc2ccccc12)[C@H]1CCN2C(=O)S[C@@H](c3ccnc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](Cn1cc(CON2C(=O)c3ccccc3C2=O)nn1)[C@H]1CCN2C(=O)S[C@@H](c3cc(-c4ccc(Oc5ccccc5)cc4)nc4ccc(C)cc34)[C@@H]2C1
• InChI: InChI=1S/C44H38N6O5S.C32H32N4O4S2.C31H31N3O3S2.C29H32N4O4S2.C28H31N3O3S2/c1-3-28(24-48-25-31(46-47-48)26-54-50-42(51)34-11-7-8-12-35(34)43(50)52)30-19-20-49-40(22-30)41(56-44(49)53)37-23-39(45-38-18-13-27(2)21-36(37)38)29-14-16-33(17-15-29)55-32-9-5-4-6-10-32;1-3-22(19-35-42(38,39)25-10-12-30(34-20-25)40-24-7-5-4-6-8-24)23-14-16-36-29(18-23)31(41-32(36)37)26-13-15-33-28-11-9-21(2)17-27(26)28;1-3-21(19-33-39(36,37)29-10-6-8-22-7-4-5-9-24(22)29)23-14-16-34-28(18-23)30(38-31(34)35)25-13-15-32-27-12-11-20(2)17-26(25)27;1-4-20(17-31-39(36,37)23-8-6-22(7-9-23)32-19(3)34)21-12-14-33-27(16-21)28(38-29(33)35)24-11-13-30-26-10-5-18(2)15-25(24)26;1-4-20(17-30-36(33,34)22-8-5-18(2)6-9-22)21-12-14-31-26(16-21)27(35-28(31)32)23-11-13-29-25-10-7-19(3)15-24(23)25/h3-18,21,23,25,28,30,40-41H,1,19-20,22,24,26H2,2H3;3-13,15,17,20,22-23,29,31,35H,1,14,16,18-19H2,2H3;3-13,15,17,21,23,28,30,33H,1,14,16,18-19H2,2H3;4-11,13,15,20-21,27-28,31H,1,12,14,16-17H2,2-3H3,(H,32,34);4-11,13,15,20-21,26-27,30H,1,12,14,16-17H2,2-3H3/t28-,30-,40-,41-;22-,23-,29-,31-;21-,23-,28-,30-;20-,21-,27-,28-;20-,21-,26-,27-/m00000/s1
• InChIKey: LSAODUURJLDBCK-MYJKKFEBSA-N
• XLogP: 32.67
• TPSA: 488.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 42
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3007.84
LogP ≤ 5	32.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide?

The IUPAC name of 2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide (CID 159439882) is 2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide.

What is the SMILES notation for 2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide?

The canonical SMILES for 2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide is C=C[C@@H](CNS(=O)(=O)c1ccc(C)cc1)[C@H]1CCN2C(=O)S[C@@H](c3ccnc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCN2C(=O)S[C@@H](c3ccnc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](CNS(=O)(=O)c1ccc(Oc2ccccc2)nc1)[C@H]1CCN2C(=O)S[C@@H](c3ccnc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](CNS(=O)(=O)c1cccc2ccccc12)[C@H]1CCN2C(=O)S[C@@H](c3ccnc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](Cn1cc(CON2C(=O)c3ccccc3C2=O)nn1)[C@H]1CCN2C(=O)S[C@@H](c3cc(-c4ccc(Oc5ccccc5)cc4)nc4ccc(C)cc34)[C@@H]2C1.

What is the InChIKey of 2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide?

The InChIKey is LSAODUURJLDBCK-MYJKKFEBSA-N. The full InChI is InChI=1S/C44H38N6O5S.C32H32N4O4S2.C31H31N3O3S2.C29H32N4O4S2.C28H31N3O3S2/c1-3-28(24-48-25-31(46-47-48)26-54-50-42(51)34-11-7-8-12-35(34)43(50)52)30-19-20-49-40(22-30)41(56-44(49)53)37-23-39(45-38-18-13-27(2)21-36(37)38)29-14-16-33(17-15-29)55-32-9-5-4-6-10-32;1-3-22(19-35-42(38,39)25-10-12-30(34-20-25)40-24-7-5-4-6-8-24)23-14-16-36-29(18-23)31(41-32(36)37)26-13-15-33-28-11-9-21(2)17-27(26)28;1-3-21(19-33-39(36,37)29-10-6-8-22-7-4-5-9-24(22)29)23-14-16-34-28(18-23)30(38-31(34)35)25-13-15-32-27-12-11-20(2)17-26(25)27;1-4-20(17-31-39(36,37)23-8-6-22(7-9-23)32-19(3)34)21-12-14-33-27(16-21)28(38-29(33)35)24-11-13-30-26-10-5-18(2)15-25(24)26;1-4-20(17-30-36(33,34)22-8-5-18(2)6-9-22)21-12-14-31-26(16-21)27(35-28(31)32)23-11-13-29-25-10-7-19(3)15-24(23)25/h3-18,21,23,25,28,30,40-41H,1,19-20,22,24,26H2,2H3;3-13,15,17,20,22-23,29,31,35H,1,14,16,18-19H2,2H3;3-13,15,17,21,23,28,30,33H,1,14,16,18-19H2,2H3;4-11,13,15,20-21,27-28,31H,1,12,14,16-17H2,2-3H3,(H,32,34);4-11,13,15,20-21,26-27,30H,1,12,14,16-17H2,2-3H3/t28-,30-,40-,41-;22-,23-,29-,31-;21-,23-,28-,30-;20-,21-,27-,28-;20-,21-,26-,27-/m00000/s1.

What are the key properties of 2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide?

2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide has a molecular weight of 3007.84 g/mol, XLogP of 32.67, 42 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[(2R)-2-[(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]triazol-4-yl]methoxy]isoindole-1,3-dione;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-4-methylbenzenesulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]naphthalene-1-sulfonamide;N-[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]-6-phenoxypyridine-3-sulfonamide;N-[4-[[(2R)-2-[(1S,7S,8aS)-1-(6-methylquinolin-4-yl)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-7-yl]but-3-enyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 159439882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).