N-[(4-chlorophenyl)methyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[(4-chlorophenyl)methyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0575 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C21 H20 Cl N3 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0425 |
| logD: | 3.0424 |
| logSw: | -3.8127 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.133 |
| InChI Key: | UVUKYASQQLORPR-UHFFFAOYSA-N |