N~1~-(3-chloro-4-methoxyphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-(3-chloro-4-methoxyphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-(3-chloro-4-methoxyphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0014 |
| Compound Name: | N~1~-(3-chloro-4-methoxyphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 440.89 |
| Molecular Formula: | C22 H21 Cl N4 O4 |
| Smiles: | COc1ccc(cc1[Cl])NC(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8648 |
| logD: | 2.5367 |
| logSw: | -3.595 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.804 |
| InChI Key: | BZTHJJTWKHJJDM-UHFFFAOYSA-N |