4-({[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-propylfuran-2-carbonitrile
Chemical Structure Depiction of
4-({[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-propylfuran-2-carbonitrile
4-({[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-propylfuran-2-carbonitrile
Compound characteristics
| Compound ID: | 8017-3944 |
| Compound Name: | 4-({[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-propylfuran-2-carbonitrile |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C21 H20 N6 O S |
| Smiles: | CCCc1c(CSc2nnc(c3cc(C)[nH]n3)n2c2ccccc2)cc(C#N)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.4434 |
| logD: | 4.4434 |
| logSw: | -4.288 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.581 |
| InChI Key: | AVRIJVIUCBFVKG-UHFFFAOYSA-N |