propan-2-yl {[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
propan-2-yl {[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
propan-2-yl {[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | IB07-5366 |
| Compound Name: | propan-2-yl {[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CC(C)OC(CSc1nnc(c2cccc(C)c2)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.07 |
| logD: | 5.07 |
| logSw: | -5.75 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 99.58 |
| InChI Key: | AIBNCEFQTHOFTI-UHFFFAOYSA-N |