12-oxo-N-(pentafluorophenyl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
12-oxo-N-(pentafluorophenyl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
12-oxo-N-(pentafluorophenyl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | Y504-5084 |
| Compound Name: | 12-oxo-N-(pentafluorophenyl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 423.34 |
| Molecular Formula: | C20 H14 F5 N3 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(Nc1c(c(c(c(c1F)F)F)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0712 |
| logD: | -2.7098 |
| logSw: | -3.5709 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.415 |
| InChI Key: | UUEFULCMHXWULW-UHFFFAOYSA-N |