methyl {[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-5798 |
| Compound Name: | methyl {[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 257.35 |
| Molecular Formula: | C11 H19 N3 O2 S |
| Smiles: | CCCn1c(C(C)C)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0672 |
| logD: | 2.0644 |
| logSw: | -1.825 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.341 |
| InChI Key: | MNFUWTGWCHKEMC-UHFFFAOYSA-N |