4-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-5442 |
| Compound Name: | 4-({[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-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)c1nnc(n1CC=C)SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0025 |
| logD: | 4.0025 |
| logSw: | -4.1622 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.819 |
| InChI Key: | DOKQTMQIEGRMPU-UHFFFAOYSA-N |