N~1~-(2-chloropyridin-3-yl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
Chemical Structure Depiction of
N~1~-(2-chloropyridin-3-yl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
N~1~-(2-chloropyridin-3-yl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
Compound characteristics
| Compound ID: | C865-0159 |
| Compound Name: | N~1~-(2-chloropyridin-3-yl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide |
| Molecular Weight: | 425.87 |
| Molecular Formula: | C21 H20 Cl N5 O3 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(CC(Nc1cccnc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4925 |
| logD: | 1.4909 |
| logSw: | -2.7525 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.734 |
| InChI Key: | DHHWNNFYDFHBBL-UHFFFAOYSA-N |