2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(2,3,5,6-tetrafluorophenyl)-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-(2,3,5,6-tetrafluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(2,3,5,6-tetrafluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D049-0257 |
| Compound Name: | 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-7-(2,3,5,6-tetrafluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 487.46 |
| Molecular Formula: | C20 H9 F4 N7 S2 |
| Smiles: | C(c1nc2c3cnn(c4c(c(cc(c4F)F)F)F)c3ncn2n1)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3656 |
| logD: | 5.3646 |
| logSw: | -6.0172 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.912 |
| InChI Key: | MFLFSEIRNXXCPJ-UHFFFAOYSA-N |