3-({[5-cyclopropyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-cyclopropyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-cyclopropyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V009-3608 |
| Compound Name: | 3-({[5-cyclopropyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(C2CC2)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9558 |
| logD: | 3.9558 |
| logSw: | -4.2021 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.836 |
| InChI Key: | WRYLEJDGMJVNJA-UHFFFAOYSA-N |