N-(5-chloro-2-methoxyphenyl)-N-ethyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-N-ethyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(5-chloro-2-methoxyphenyl)-N-ethyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0474 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-N-ethyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 425.91 |
| Molecular Formula: | C23 H24 Cl N3 O3 |
| Smiles: | CCN(C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)c1cc(ccc1OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5029 |
| logD: | 3.5029 |
| logSw: | -3.8959 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.397 |
| InChI Key: | YMIGRAKRFSDSNJ-UHFFFAOYSA-N |