methyl {[5-ethyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-ethyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-ethyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7442 |
| Compound Name: | methyl {[5-ethyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 243.32 |
| Molecular Formula: | C10 H17 N3 O2 S |
| Smiles: | CCc1nnc(n1C(C)C)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.3054 |
| logD: | 1.2965 |
| logSw: | -1.4409 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.414 |
| InChI Key: | VZOWIGIJUACSNZ-UHFFFAOYSA-N |