{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}(3,4-difluorophenyl)methanone
Chemical Structure Depiction of
{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}(3,4-difluorophenyl)methanone
{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}(3,4-difluorophenyl)methanone
Compound characteristics
| Compound ID: | 8012-8074 |
| Compound Name: | {4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}(3,4-difluorophenyl)methanone |
| Molecular Weight: | 462.47 |
| Molecular Formula: | C23 H25 F3 N4 O3 |
| Smiles: | C1CCCN(CC1)c1cc(c(cc1F)[N+]([O-])=O)N1CCN(CC1)C(c1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5889 |
| logD: | 4.5888 |
| logSw: | -4.4921 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.409 |
| InChI Key: | IPSDHRPCEURIFD-UHFFFAOYSA-N |