2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)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-methoxyphenyl)acetamide
2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K822-0225 |
| Compound Name: | 2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C28 H27 N5 O2 S |
| Smiles: | Cc1c2cc(ccc2[nH]c1C)c1nnc(n1Cc1ccccc1)SCC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7528 |
| logD: | 5.7527 |
| logSw: | -5.553 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.588 |
| InChI Key: | IAVACPPWKFJDSF-UHFFFAOYSA-N |