4-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V007-3563 |
| Compound Name: | 4-({[4-(4-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 364.47 |
| Molecular Formula: | C20 H20 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccc(cc1)OC)SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9092 |
| logD: | 3.9091 |
| logSw: | -4.0709 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.584 |
| InChI Key: | VUJCXBSTKNSBAY-UHFFFAOYSA-N |