benzyl {[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V009-3688 |
| Compound Name: | benzyl {[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C22 H18 N4 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)OC(CSc1nnc(c2cccnc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.666 |
| logD: | 3.6618 |
| logSw: | -3.7411 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.765 |
| InChI Key: | DUJDKPVFYJERKS-UHFFFAOYSA-N |