5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitro-N-{[4-(propan-2-yl)phenyl]methyl}aniline
Chemical Structure Depiction of
5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitro-N-{[4-(propan-2-yl)phenyl]methyl}aniline
5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitro-N-{[4-(propan-2-yl)phenyl]methyl}aniline
Compound characteristics
| Compound ID: | 8011-1156 |
| Compound Name: | 5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitro-N-{[4-(propan-2-yl)phenyl]methyl}aniline |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Smiles: | CC(C)c1ccc(CNc2cc(ccc2[N+]([O-])=O)N2CCN(CC2)S(c2ccc(C)cc2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9128 |
| logD: | 5.9128 |
| logSw: | -5.6068 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.827 |
| InChI Key: | UINWCUFUYRXJDV-UHFFFAOYSA-N |