1-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]-4-(4-methylbenzene-1-sulfonyl)piperazine
Chemical Structure Depiction of
1-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]-4-(4-methylbenzene-1-sulfonyl)piperazine
1-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]-4-(4-methylbenzene-1-sulfonyl)piperazine
Compound characteristics
| Compound ID: | 8012-0892 |
| Compound Name: | 1-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]-4-(4-methylbenzene-1-sulfonyl)piperazine |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C21 H25 F N4 O4 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)c1cc(c(cc1[N+]([O-])=O)F)N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1406 |
| logD: | 4.1406 |
| logSw: | -4.3364 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.507 |
| InChI Key: | LHXXBVWUPUAQIK-UHFFFAOYSA-N |