N-(3-chloro-4-methoxyphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(3-chloro-4-methoxyphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C066-3379 |
| Compound Name: | N-(3-chloro-4-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(cc1[Cl])NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2925 |
| logD: | 3.2731 |
| logSw: | -3.8266 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.441 |
| InChI Key: | MYCAMIZDJYNXOL-UHFFFAOYSA-N |