methyl {[3-(4-chlorobenzene-1-sulfonyl)-2-methyl-5-nitrophenyl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-(4-chlorobenzene-1-sulfonyl)-2-methyl-5-nitrophenyl]sulfanyl}acetate
methyl {[3-(4-chlorobenzene-1-sulfonyl)-2-methyl-5-nitrophenyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8012-6129 |
| Compound Name: | methyl {[3-(4-chlorobenzene-1-sulfonyl)-2-methyl-5-nitrophenyl]sulfanyl}acetate |
| Molecular Weight: | 415.87 |
| Molecular Formula: | C16 H14 Cl N O6 S2 |
| Smiles: | Cc1c(cc(cc1S(c1ccc(cc1)[Cl])(=O)=O)[N+]([O-])=O)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7882 |
| logD: | 3.7882 |
| logSw: | -4.3167 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.7 |
| InChI Key: | OPIIMRKVXNXRSJ-UHFFFAOYSA-N |