N~1~-(2-chloro-4-methylphenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
Chemical Structure Depiction of
N~1~-(2-chloro-4-methylphenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
N~1~-(2-chloro-4-methylphenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
Compound characteristics
| Compound ID: | C865-0133 |
| Compound Name: | N~1~-(2-chloro-4-methylphenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide |
| Molecular Weight: | 438.91 |
| Molecular Formula: | C23 H23 Cl N4 O3 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9785 |
| logD: | 2.9779 |
| logSw: | -3.5501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.049 |
| InChI Key: | FQBHJEWVYSDYTR-UHFFFAOYSA-N |