2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D472-0719 |
| Compound Name: | 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C23 H17 F N6 S2 |
| Smiles: | Cc1c2c(ncn3c2nc(CSc2nc4ccccc4s2)n3)n(c2ccc(cc2)F)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.3679 |
| logD: | 5.3228 |
| logSw: | -5.7582 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.889 |
| InChI Key: | CNIRQIFIOYJIPM-UHFFFAOYSA-N |