3-(4-methylphenyl)-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-methylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide
3-(4-methylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | C803-0310 |
| Compound Name: | 3-(4-methylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)prop-2-enamide |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C23 H23 N3 O2 |
| Smiles: | Cc1ccc(/C=C/C(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0419 |
| logD: | 4.0419 |
| logSw: | -4.1634 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.597 |
| InChI Key: | ZFGRJBCWQZIRJN-UHFFFAOYSA-N |