N-(2-chloro-4-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2-chloro-4-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0521 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-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: | Cc1ccc(c(c1)[Cl])NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7039 |
| logD: | 3.6915 |
| logSw: | -4.0541 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.113 |
| InChI Key: | KGUJORVLRGPVGI-UHFFFAOYSA-N |