N~1~-[(4-methoxyphenyl)methyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-[(4-methoxyphenyl)methyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-[(4-methoxyphenyl)methyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0135 |
| Compound Name: | N~1~-[(4-methoxyphenyl)methyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | COc1ccc(CNC(C(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0876 |
| logD: | 1.9672 |
| logSw: | -3.1509 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.04 |
| InChI Key: | VRNVESKCVIKMGC-UHFFFAOYSA-N |