methyl {[1-(4-chlorobenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[1-(4-chlorobenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[1-(4-chlorobenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D385-0348 |
| Compound Name: | methyl {[1-(4-chlorobenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 347.8 |
| Molecular Formula: | C11 H10 Cl N3 O4 S2 |
| Smiles: | COC(CSc1ncn(n1)S(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7154 |
| logD: | 1.7154 |
| logSw: | -2.636 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.84 |
| InChI Key: | VNTQUYIQBJDILF-UHFFFAOYSA-N |