methyl {[5-cyclopentyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-cyclopentyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-cyclopentyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-5813 |
| Compound Name: | methyl {[5-cyclopentyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 281.37 |
| Molecular Formula: | C13 H19 N3 O2 S |
| Smiles: | COC(CSc1nnc(C2CCCC2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4721 |
| logD: | 2.472 |
| logSw: | -2.2413 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.628 |
| InChI Key: | QARZGPOUYKAWFE-UHFFFAOYSA-N |