3-(2-chlorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide
Chemical Structure Depiction of
3-(2-chlorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide
3-(2-chlorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | C803-0289 |
| Compound Name: | 3-(2-chlorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide |
| Molecular Weight: | 393.87 |
| Molecular Formula: | C22 H20 Cl N3 O2 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(/C=C/c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1491 |
| logD: | 4.149 |
| logSw: | -4.4342 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.597 |
| InChI Key: | DPLHPCSXKFYJIZ-UHFFFAOYSA-N |