2-(3,4-dichlorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide
Chemical Structure Depiction of
2-(3,4-dichlorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide
2-(3,4-dichlorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide
Compound characteristics
| Compound ID: | C803-0313 |
| Compound Name: | 2-(3,4-dichlorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)acetamide |
| Molecular Weight: | 416.31 |
| Molecular Formula: | C21 H19 Cl2 N3 O2 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(Cc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1928 |
| logD: | 4.1928 |
| logSw: | -4.5145 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.597 |
| InChI Key: | RHBIJLPBMYNMAR-UHFFFAOYSA-N |