N~1~-(4-chlorophenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
Chemical Structure Depiction of
N~1~-(4-chlorophenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
N~1~-(4-chlorophenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
Compound characteristics
| Compound ID: | C865-0167 |
| Compound Name: | N~1~-(4-chlorophenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide |
| Molecular Weight: | 424.89 |
| Molecular Formula: | C22 H21 Cl N4 O3 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(CC(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8494 |
| logD: | 2.849 |
| logSw: | -3.8212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.747 |
| InChI Key: | JEEMRIPZZFLVGI-UHFFFAOYSA-N |