4-(2H-1,3-benzodioxol-5-yl)-N-(5-bromopyridin-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-(5-bromopyridin-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-(5-bromopyridin-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 3716-0401 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 510.39 |
| Molecular Formula: | C25 H24 Br N3 O4 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc2c(c1)OCO2)C(Nc1ccc(cn1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9532 |
| logD: | 2.9235 |
| logSw: | -4.5774 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.832 |
| InChI Key: | SACRSNAQAOKSGI-QFIPXVFZSA-N |