1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8017-3956 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | Cc1c(cco1)c1nnc(n1c1ccccc1)SCC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1301 |
| logD: | 4.1301 |
| logSw: | -4.3442 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.308 |
| InChI Key: | NSXMAJXUOMAQTA-UHFFFAOYSA-N |