2-fluoro-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-4-nitro-N-[(oxolan-2-yl)methyl]aniline
Chemical Structure Depiction of
2-fluoro-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-4-nitro-N-[(oxolan-2-yl)methyl]aniline
2-fluoro-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-4-nitro-N-[(oxolan-2-yl)methyl]aniline
Compound characteristics
| Compound ID: | 8016-9251 |
| Compound Name: | 2-fluoro-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-4-nitro-N-[(oxolan-2-yl)methyl]aniline |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C22 H27 F N4 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)c1cc(c(cc1[N+]([O-])=O)F)NCC1CCCO1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8305 |
| logD: | 3.8305 |
| logSw: | -3.9975 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.18 |
| InChI Key: | ZVFYWBYZXRBHRF-QGZVFWFLSA-N |