3-(4-methoxyphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide
Chemical Structure Depiction of
3-(4-methoxyphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide
3-(4-methoxyphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | C803-0351 |
| Compound Name: | 3-(4-methoxyphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C23 H23 N3 O3 |
| Smiles: | COc1ccc(/C=C/C(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6009 |
| logD: | 3.6008 |
| logSw: | -3.8716 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.141 |
| InChI Key: | AHUHPAVYMLGJNE-UHFFFAOYSA-N |