{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | 8018-5643 |
| Compound Name: | {[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 296.35 |
| Molecular Formula: | C15 H12 N4 O S |
| Smiles: | Cc1c(cco1)c1nnc(n1c1ccccc1)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.4339 |
| logD: | 2.4339 |
| logSw: | -2.7755 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.709 |
| InChI Key: | VXDHIFPAWXXLMC-UHFFFAOYSA-N |