N-(3-bromophenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(3-bromophenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(3-bromophenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0398 |
| Compound Name: | N-(3-bromophenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 428.33 |
| Molecular Formula: | C21 H22 Br N3 O2 |
| Smiles: | CN1C2CCCCCN2C(c2ccc(cc12)C(Nc1cccc(c1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0586 |
| logD: | 4.0584 |
| logSw: | -4.1393 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.71 |
| InChI Key: | BHHPGTWECUGDIA-IBGZPJMESA-N |