N~1~-(2-methoxy-5-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-methoxy-5-methylphenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
N~1~-(2-methoxy-5-methylphenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
Compound characteristics
| Compound ID: | C865-0068 |
| Compound Name: | N~1~-(2-methoxy-5-methylphenyl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | Cc1ccc(c(c1)NC(CC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0916 |
| logD: | 2.0912 |
| logSw: | -3.1241 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.679 |
| InChI Key: | XLMSDAJUYIPJLL-UHFFFAOYSA-N |