N~1~-[(2H-1,3-benzodioxol-5-yl)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~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0132 |
| Compound Name: | N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C23 H22 N4 O5 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0183 |
| logD: | 1.8979 |
| logSw: | -2.9555 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.611 |
| InChI Key: | XNSYZJNKFJPPDV-UHFFFAOYSA-N |