N~1~-(6-methylpyridin-2-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~-(6-methylpyridin-2-yl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
N~1~-(6-methylpyridin-2-yl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide
Compound characteristics
| Compound ID: | C865-0001 |
| Compound Name: | N~1~-(6-methylpyridin-2-yl)-N~3~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanediamide |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | Cc1cccc(NC(CC(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.9458 |
| logD: | 1.9456 |
| logSw: | -2.826 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.736 |
| InChI Key: | XJWDIWNVUVJMGT-UHFFFAOYSA-N |