N-benzyl-5-{4-[4-(methylsulfanyl)benzene-1-sulfonyl]piperazin-1-yl}-2-nitroaniline
Chemical Structure Depiction of
N-benzyl-5-{4-[4-(methylsulfanyl)benzene-1-sulfonyl]piperazin-1-yl}-2-nitroaniline
N-benzyl-5-{4-[4-(methylsulfanyl)benzene-1-sulfonyl]piperazin-1-yl}-2-nitroaniline
Compound characteristics
| Compound ID: | 8016-5659 |
| Compound Name: | N-benzyl-5-{4-[4-(methylsulfanyl)benzene-1-sulfonyl]piperazin-1-yl}-2-nitroaniline |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C24 H26 N4 O4 S2 |
| Smiles: | CSc1ccc(cc1)S(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8706 |
| logD: | 4.8706 |
| logSw: | -4.6926 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.827 |
| InChI Key: | SNMNYZGCMBXRBJ-UHFFFAOYSA-N |