N-(3,4-difluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(3,4-difluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | Y501-3642 |
| Compound Name: | N-(3,4-difluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 369.37 |
| Molecular Formula: | C20 H17 F2 N3 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(Nc1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1385 |
| logD: | 2.7665 |
| logSw: | -3.6154 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.811 |
| InChI Key: | YYZVVJWMSWJSCV-UHFFFAOYSA-N |