3-heptyl-5-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}oxolan-2-one
Chemical Structure Depiction of
3-heptyl-5-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}oxolan-2-one
3-heptyl-5-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}oxolan-2-one
Compound characteristics
| Compound ID: | 5604-0141 |
| Compound Name: | 3-heptyl-5-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}oxolan-2-one |
| Molecular Weight: | 297.42 |
| Molecular Formula: | C14 H23 N3 O2 S |
| Smiles: | CCCCCCCC1CC(CSc2nnc[nH]2)OC1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2208 |
| logD: | 2.9321 |
| logSw: | -3.2354 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.096 |
| InChI Key: | CKJSNISMHJMZGU-UHFFFAOYSA-N |