3-(2H-1,3-benzodioxol-5-yl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | C803-0330 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C23 H21 N3 O4 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(/C=C/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6227 |
| logD: | 3.6226 |
| logSw: | -3.8411 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.713 |
| InChI Key: | FLFWKCRBWVRWCD-UHFFFAOYSA-N |