(1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione

C164H161BrN26O11S5 — CID 157191959

About (1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione

(1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione (PubChem CID 157191959) has the molecular formula C164H161BrN26O11S5 and a molecular weight of 2912.50 g/mol. Its IUPAC name is (1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: (1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione
• PubChem CID: 157191959
• Molecular Formula: C164H161BrN26O11S5
• Molecular Weight: 2912.50 g/mol
• Exact Mass: 2909.06
• IUPAC Name: (1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione
• SMILES: C=C[C@@H](Cn1cc(-c2ccc(Br)cc2)nn1)[C@H]1CCN2C(=O)S[C@@H](c3ccnc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](Cn1cc(-c2ccccc2)nn1)[C@H]1CCN2C(=O)S[C@@H](c3cc(-c4ccc(Oc5ccccc5)cc4)nc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](Cn1cc(C(O)(c2ccccc2)c2ccccc2)nn1)[C@H]1CCN2C(=O)S[C@@H](c3ccnc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](Cn1cc(CCCO)nn1)[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](c3ccnc4ccc(C)cc34)[C@@H]2C1
• InChI: InChI=1S/C41H37N5O2S.C36H35N5O2S.C32H30N6O4S.C29H28BrN5OS.C26H31N5O2S/c1-3-28(25-45-26-38(43-44-45)29-10-6-4-7-11-29)31-20-21-46-39(23-31)40(49-41(46)47)35-24-37(42-36-19-14-27(2)22-34(35)36)30-15-17-33(18-16-30)48-32-12-8-5-9-13-32;1-3-25(22-40-23-33(38-39-40)36(43,27-10-6-4-7-11-27)28-12-8-5-9-13-28)26-17-19-41-32(21-26)34(44-35(41)42)29-16-18-37-31-15-14-24(2)20-30(29)31;1-3-20(16-36-17-22(34-35-36)18-42-38-30(39)24-6-4-5-7-25(24)31(38)40)21-11-13-37-28(15-21)29(43-32(37)41)23-10-12-33-27-9-8-19(2)14-26(23)27;1-3-19(16-34-17-26(32-33-34)20-5-7-22(30)8-6-20)21-11-13-35-27(15-21)28(37-29(35)36)23-10-12-31-25-9-4-18(2)14-24(23)25;1-3-18(15-30-16-20(28-29-30)5-4-12-32)19-9-11-31-24(14-19)25(34-26(31)33)21-8-10-27-23-7-6-17(2)13-22(21)23/h3-19,22,24,26,28,31,39-40H,1,20-21,23,25H2,2H3;3-16,18,20,23,25-26,32,34,43H,1,17,19,21-22H2,2H3;3-10,12,14,17,20-21,28-29H,1,11,13,15-16,18H2,2H3;3-10,12,14,17,19,21,27-28H,1,11,13,15-16H2,2H3;3,6-8,10,13,16,18-19,24-25,32H,1,4-5,9,11-12,14-15H2,2H3/t28-,31-,39-,40-;25-,26-,32-,34-;20-,21-,28-,29-;19-,21-,27-,28-;18-,19-,24-,25-/m00000/s1
• InChIKey: APUMSVCEBGURTI-UXPNWDMRSA-N
• XLogP: 33.62
• TPSA: 415.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 39
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2912.50
LogP ≤ 5	33.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

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 (1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione?

The IUPAC name of (1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione (CID 157191959) is (1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione.

What is the SMILES notation for (1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione?

The canonical SMILES for (1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione is C=C[C@@H](Cn1cc(-c2ccc(Br)cc2)nn1)[C@H]1CCN2C(=O)S[C@@H](c3ccnc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](Cn1cc(-c2ccccc2)nn1)[C@H]1CCN2C(=O)S[C@@H](c3cc(-c4ccc(Oc5ccccc5)cc4)nc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](Cn1cc(C(O)(c2ccccc2)c2ccccc2)nn1)[C@H]1CCN2C(=O)S[C@@H](c3ccnc4ccc(C)cc34)[C@@H]2C1.C=C[C@@H](Cn1cc(CCCO)nn1)[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](c3ccnc4ccc(C)cc34)[C@@H]2C1.

What is the InChIKey of (1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione?

The InChIKey is APUMSVCEBGURTI-UXPNWDMRSA-N. The full InChI is InChI=1S/C41H37N5O2S.C36H35N5O2S.C32H30N6O4S.C29H28BrN5OS.C26H31N5O2S/c1-3-28(25-45-26-38(43-44-45)29-10-6-4-7-11-29)31-20-21-46-39(23-31)40(49-41(46)47)35-24-37(42-36-19-14-27(2)22-34(35)36)30-15-17-33(18-16-30)48-32-12-8-5-9-13-32;1-3-25(22-40-23-33(38-39-40)36(43,27-10-6-4-7-11-27)28-12-8-5-9-13-28)26-17-19-41-32(21-26)34(44-35(41)42)29-16-18-37-31-15-14-24(2)20-30(29)31;1-3-20(16-36-17-22(34-35-36)18-42-38-30(39)24-6-4-5-7-25(24)31(38)40)21-11-13-37-28(15-21)29(43-32(37)41)23-10-12-33-27-9-8-19(2)14-26(23)27;1-3-19(16-34-17-26(32-33-34)20-5-7-22(30)8-6-20)21-11-13-35-27(15-21)28(37-29(35)36)23-10-12-31-25-9-4-18(2)14-24(23)25;1-3-18(15-30-16-20(28-29-30)5-4-12-32)19-9-11-31-24(14-19)25(34-26(31)33)21-8-10-27-23-7-6-17(2)13-22(21)23/h3-19,22,24,26,28,31,39-40H,1,20-21,23,25H2,2H3;3-16,18,20,23,25-26,32,34,43H,1,17,19,21-22H2,2H3;3-10,12,14,17,20-21,28-29H,1,11,13,15-16,18H2,2H3;3-10,12,14,17,19,21,27-28H,1,11,13,15-16H2,2H3;3,6-8,10,13,16,18-19,24-25,32H,1,4-5,9,11-12,14-15H2,2H3/t28-,31-,39-,40-;25-,26-,32-,34-;20-,21-,28-,29-;19-,21-,27-,28-;18-,19-,24-,25-/m00000/s1.

What are the key properties of (1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione?

(1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione has a molecular weight of 2912.50 g/mol, XLogP of 33.62, 39 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,7S,8aS)-7-[(2R)-1-[4-(4-bromophenyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-7-[(2R)-1-[4-(3-hydroxypropyl)triazol-1-yl]but-3-en-2-yl]-1-(6-methylquinolin-4-yl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;(1S,7S,8aS)-1-[6-methyl-2-(4-phenoxyphenyl)quinolin-4-yl]-7-[(2R)-1-(4-phenyltriazol-1-yl)but-3-en-2-yl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-one;2-[[1-[(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]triazol-4-yl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 157191959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).