3-({[5-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V013-7735 |
| Compound Name: | 3-({[5-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1CC=C)SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8402 |
| logD: | 3.8402 |
| logSw: | -4.0717 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.536 |
| InChI Key: | GFCCTGPMOFSIJC-UHFFFAOYSA-N |