1-{2-fluoro-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-4-nitrophenyl}azepane
Chemical Structure Depiction of
1-{2-fluoro-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-4-nitrophenyl}azepane
1-{2-fluoro-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-4-nitrophenyl}azepane
Compound characteristics
| Compound ID: | 8012-9577 |
| Compound Name: | 1-{2-fluoro-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-4-nitrophenyl}azepane |
| Molecular Weight: | 476.57 |
| Molecular Formula: | C23 H29 F N4 O4 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)c1cc(c(cc1[N+]([O-])=O)F)N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9914 |
| logD: | 4.9914 |
| logSw: | -4.8181 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.472 |
| InChI Key: | PAWGZZOKBSYJBZ-UHFFFAOYSA-N |