2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]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-[(furan-2-yl)methyl]acetamide
2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K822-0251 |
| Compound Name: | 2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C26 H25 N5 O2 S |
| Smiles: | Cc1c2cc(ccc2[nH]c1C)c1nnc(n1Cc1ccccc1)SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2023 |
| logD: | 5.2023 |
| logSw: | -5.1199 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.115 |
| InChI Key: | VCDLJMKDJZHIQC-UHFFFAOYSA-N |