N~1~-(2-methylphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-(2-methylphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-(2-methylphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0172 |
| Compound Name: | N~1~-(2-methylphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | Cc1ccccc1NC(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3473 |
| logD: | 2.3419 |
| logSw: | -3.0035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.476 |
| InChI Key: | ZBZMYAQDBDNFCB-UHFFFAOYSA-N |