3-chloro-4-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-chloro-4-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-chloro-4-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | 8010-4812 |
| Compound Name: | 3-chloro-4-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 396.9 |
| Molecular Formula: | C20 H17 Cl N4 O S |
| Smiles: | COc1cccc(c1)c1nnc(n1CC=C)SCc1ccc(C#N)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.086 |
| logD: | 5.086 |
| logSw: | -5.6448 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.819 |
| InChI Key: | XMXLAGAKYQFADH-UHFFFAOYSA-N |