2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K822-0211 |
| Compound Name: | 2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 511.65 |
| Molecular Formula: | C29 H29 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(CSc1nnc(c2ccc3c(c2)c(C)c(C)[nH]3)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1393 |
| logD: | 6.1393 |
| logSw: | -5.4989 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.168 |
| InChI Key: | XGWGJDJRJIVBMC-UHFFFAOYSA-N |