N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-{2-[(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-{2-[(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-{2-[(propan-2-yl)oxy]phenyl}prop-2-enamide
Compound characteristics
| Compound ID: | C803-0361 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-{2-[(propan-2-yl)oxy]phenyl}prop-2-enamide |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C25 H27 N3 O3 |
| Smiles: | CC(C)Oc1ccccc1/C=C/C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3 |
| logD: | 4.2999 |
| logSw: | -4.2057 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | GZBPEMFGHWSOTM-UHFFFAOYSA-N |