N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-{4-[(propan-2-yl)oxy]phenyl}prop-2-enamide
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-{4-[(propan-2-yl)oxy]phenyl}prop-2-enamide
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-{4-[(propan-2-yl)oxy]phenyl}prop-2-enamide
Compound characteristics
| Compound ID: | C803-0356 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-{4-[(propan-2-yl)oxy]phenyl}prop-2-enamide |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C25 H27 N3 O3 |
| Smiles: | CC(C)Oc1ccc(/C=C/C(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2851 |
| logD: | 4.285 |
| logSw: | -4.2319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.4 |
| InChI Key: | KVWHMCJLMVFSAS-UHFFFAOYSA-N |