N-(2-chloropyridin-3-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2-chloropyridin-3-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2-chloropyridin-3-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0564 |
| Compound Name: | N-(2-chloropyridin-3-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 368.82 |
| Molecular Formula: | C19 H17 Cl N4 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(Nc1cccnc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2179 |
| logD: | 2.1939 |
| logSw: | -3.6509 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.798 |
| InChI Key: | CBZBGDSQEFBSAI-UHFFFAOYSA-N |