2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | 5506-0274 |
| Compound Name: | 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C21 H15 N7 S2 |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)c1nc(CSc3nc4ccccc4s3)nn1cn2 |
| Stereo: | ACHIRAL |
| logP: | 5.0975 |
| logD: | 5.0964 |
| logSw: | -4.8804 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.514 |
| InChI Key: | JHNRUVFPNYKYGQ-UHFFFAOYSA-N |