3-({[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-6943 |
| Compound Name: | 3-({[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C19 H15 F N4 S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2ccc(cc2)F)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2468 |
| logD: | 4.2468 |
| logSw: | -4.4922 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.275 |
| InChI Key: | POKZDHSZLZHFPC-UHFFFAOYSA-N |