N-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0492 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C23 H25 Cl F N3 O2 |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(NCc1ccc(cc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5608 |
| logD: | 4.5608 |
| logSw: | -4.6477 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.992 |
| InChI Key: | XSYIGXIZSIRKFD-NRFANRHFSA-N |