2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-methyl-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-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D049-0008 |
| Compound Name: | 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C15 H11 N7 S2 |
| Smiles: | Cn1c2c(cn1)c1nc(CSc3nc4ccccc4s3)nn1cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.7062 |
| logD: | 2.7047 |
| logSw: | -2.6845 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.935 |
| InChI Key: | UBXVOFFXAHRPJJ-UHFFFAOYSA-N |