4-({[5-(methoxymethyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-(methoxymethyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-(methoxymethyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V007-3508 |
| Compound Name: | 4-({[5-(methoxymethyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C19 H18 N4 O2 S |
| Smiles: | COCc1nnc(n1c1ccc(cc1)OC)SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5204 |
| logD: | 2.5204 |
| logSw: | -2.5428 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.984 |
| InChI Key: | KIZBOEGZGVQSAI-UHFFFAOYSA-N |