N-(4-bromo-3-methylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(4-bromo-3-methylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0086 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 442.35 |
| Molecular Formula: | C22 H24 Br N3 O2 |
| Smiles: | Cc1cc(ccc1[Br])NC(c1ccc2C(N3CCCCCC3N(C)c2c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4251 |
| logD: | 4.425 |
| logSw: | -4.2223 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.71 |
| InChI Key: | QXKNZQSDGUIDCV-FQEVSTJZSA-N |