1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one
1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6481-7363 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 429.9 |
| Molecular Formula: | C19 H12 Cl N3 O3 S2 |
| Smiles: | C1Oc2ccc(cc2O1)C(CSc1nnc2n1c(cs2)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9966 |
| logD: | 4.9966 |
| logSw: | -5.3149 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.148 |
| InChI Key: | VHMOCXMETUYJEX-UHFFFAOYSA-N |