2,3-dimethyl-5-{4-phenyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
Chemical Structure Depiction of
2,3-dimethyl-5-{4-phenyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
2,3-dimethyl-5-{4-phenyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
Compound characteristics
| Compound ID: | K822-0200 |
| Compound Name: | 2,3-dimethyl-5-{4-phenyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole |
| Molecular Weight: | 424.57 |
| Molecular Formula: | C26 H24 N4 S |
| Smiles: | Cc1c2cc(ccc2[nH]c1C)c1nnc(n1c1ccccc1)SCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3529 |
| logD: | 6.3529 |
| logSw: | -5.7846 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.639 |
| InChI Key: | PAKGVZWBNSNCMS-UHFFFAOYSA-N |