N-(4-fluoro-3-nitrophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-fluoro-3-nitrophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(4-fluoro-3-nitrophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | Y504-5080 |
| Compound Name: | N-(4-fluoro-3-nitrophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 396.38 |
| Molecular Formula: | C20 H17 F N4 O4 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(Nc1ccc(c(c1)[N+]([O-])=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7414 |
| logD: | 1.8128 |
| logSw: | -3.5778 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.892 |
| InChI Key: | IGUGESYBBNHLBX-UHFFFAOYSA-N |