N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 3716-0028 |
| Compound Name: | N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 552.49 |
| Molecular Formula: | C27 H26 Br N3 O3 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(c1)OC)C(Nc1nc2ccc(cc2s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0476 |
| logD: | 3.995 |
| logSw: | -5.5016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.318 |
| InChI Key: | YFDQIVQYBCPDMA-QHCPKHFHSA-N |