1-[(3-octyl-1H-1,2,4-triazol-5-yl)sulfanyl]propan-2-one
Chemical Structure Depiction of
1-[(3-octyl-1H-1,2,4-triazol-5-yl)sulfanyl]propan-2-one
1-[(3-octyl-1H-1,2,4-triazol-5-yl)sulfanyl]propan-2-one
Compound characteristics
| Compound ID: | 6030-1944 |
| Compound Name: | 1-[(3-octyl-1H-1,2,4-triazol-5-yl)sulfanyl]propan-2-one |
| Molecular Weight: | 269.41 |
| Molecular Formula: | C13 H23 N3 O S |
| Smiles: | CCCCCCCCc1nc([nH]n1)SCC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7286 |
| logD: | 3.5866 |
| logSw: | -3.5295 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.342 |
| InChI Key: | DHSFRIPKVDKQRP-UHFFFAOYSA-N |