2-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V013-4952 |
| Compound Name: | 2-{[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cc(cc(c2)OC)OC)nnc1SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2219 |
| logD: | 4.2219 |
| logSw: | -4.2315 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.558 |
| InChI Key: | XQSYEYSOCLVAQD-UHFFFAOYSA-N |