3-{[(3-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Chemical Structure Depiction of
3-{[(3-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
3-{[(3-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Compound characteristics
| Compound ID: | Y020-0286 |
| Compound Name: | 3-{[(3-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
| Molecular Weight: | 311.43 |
| Molecular Formula: | C16 H13 N3 S2 |
| Smiles: | Cc1cccc(CSc2nnc3n2c2ccccc2s3)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6797 |
| logD: | 4.6797 |
| logSw: | -4.5233 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.3067 |
| InChI Key: | WHMSNYGPXFCYPX-UHFFFAOYSA-N |