3-{[(4-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Chemical Structure Depiction of
3-{[(4-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
3-{[(4-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Compound characteristics
| Compound ID: | 8013-0561 |
| Compound Name: | 3-{[(4-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
| Molecular Weight: | 327.42 |
| Molecular Formula: | C16 H13 N3 O S2 |
| Smiles: | COc1ccc(CSc2nnc3n2c2ccccc2s3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7379 |
| logD: | 3.7379 |
| logSw: | -4.0542 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.8505 |
| InChI Key: | AQZPXYYNVJXXTM-UHFFFAOYSA-N |