propan-2-yl {[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
propan-2-yl {[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
propan-2-yl {[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F235-1977 |
| Compound Name: | propan-2-yl {[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | CC(C)OC(CSc1nnc(c2ccc(C)cc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5782 |
| logD: | 4.5782 |
| logSw: | -4.3974 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.822 |
| InChI Key: | ROWNNXDDZJIISI-UHFFFAOYSA-N |