N-(5-chloro-2-methoxyphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(5-chloro-2-methoxyphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C066-3383 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C21 H20 Cl N3 O3 |
| Smiles: | COc1ccc(cc1NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.233 |
| logD: | 3.0277 |
| logSw: | -3.7897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.744 |
| InChI Key: | PBNSONMNKCQQMS-UHFFFAOYSA-N |