4-({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-propylfuran-2-carbonitrile
Chemical Structure Depiction of
4-({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-propylfuran-2-carbonitrile
4-({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-propylfuran-2-carbonitrile
Compound characteristics
| Compound ID: | 8017-3942 |
| Compound Name: | 4-({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-propylfuran-2-carbonitrile |
| Molecular Weight: | 406.53 |
| Molecular Formula: | C21 H18 N4 O S2 |
| Smiles: | CCCc1c(CSc2nnc(c3cccs3)n2c2ccccc2)cc(C#N)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.3831 |
| logD: | 5.3828 |
| logSw: | -5.4599 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.032 |
| InChI Key: | PNEITFCXBKAUSL-UHFFFAOYSA-N |