N-(4-chloro-2-methoxy-5-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(4-chloro-2-methoxy-5-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0434 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C22 H22 Cl N3 O3 |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.931 |
| logD: | 3.8074 |
| logSw: | -4.3989 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.744 |
| InChI Key: | ZHKJAEBDQJWPCJ-UHFFFAOYSA-N |