2-fluoro-5-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide
Chemical Structure Depiction of
2-fluoro-5-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide
2-fluoro-5-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide
Compound characteristics
| Compound ID: | C803-0350 |
| Compound Name: | 2-fluoro-5-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide |
| Molecular Weight: | 396.38 |
| Molecular Formula: | C20 H17 F N4 O4 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(c1cc(ccc1F)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9688 |
| logD: | 2.9436 |
| logSw: | -3.6871 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.192 |
| InChI Key: | NWGZTYBDGHMAFP-UHFFFAOYSA-N |