4-(2H-1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4-(2H-1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 3716-0406 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 566.47 |
| Molecular Formula: | C27 H24 Br N3 O4 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc2c(c1)OCO2)C(Nc1nc2ccc(cc2s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9882 |
| logD: | 3.9355 |
| logSw: | -5.5477 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.889 |
| InChI Key: | FWVDBKRTQQUWSG-QHCPKHFHSA-N |