1-(2,4-dimethylphenyl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,4-dimethylphenyl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,4-dimethylphenyl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8008-6694 |
| Compound Name: | 1-(2,4-dimethylphenyl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | Cc1ccc(C(CSc2nnc(c3cccc(c3)OC)n2CC=C)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3482 |
| logD: | 5.3482 |
| logSw: | -5.3305 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.01 |
| InChI Key: | JXRBRQFFKPHJIS-UHFFFAOYSA-N |