1-(2,5-dimethoxyphenyl)-2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,5-dimethoxyphenyl)-2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V002-7751 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C23 H21 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2cccs2)nnc1SCC(c1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2152 |
| logD: | 5.2152 |
| logSw: | -5.0939 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.152 |
| InChI Key: | QBMQQLNZMWMNAO-UHFFFAOYSA-N |