N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 3716-0420 |
| Compound Name: | N-(6-bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 523.45 |
| Molecular Formula: | C25 H23 Br N4 O2 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccnc1)C(Nc1nc2ccc(cc2s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9556 |
| logD: | 3.022 |
| logSw: | -4.4286 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.292 |
| InChI Key: | BMUCWZHPQDMYGF-NRFANRHFSA-N |