2-{[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-5049 |
| Compound Name: | 2-{[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 495.46 |
| Molecular Formula: | C18 H17 F4 N11 S |
| Smiles: | CCn1c(Cn2c(cc(C(F)F)n2)C(F)F)nnc1SCc1nc2c3cnn(C)c3ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 0.6617 |
| logD: | 0.6027 |
| logSw: | -1.5336 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.058 |
| InChI Key: | OTFCKMFGKFNJAN-UHFFFAOYSA-N |