2-[({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-4207 |
| Compound Name: | 2-[({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 525.52 |
| Molecular Formula: | C22 H18 F3 N11 S |
| Smiles: | CCn1c(c2cc(C(F)(F)F)n(C)n2)nnc1SCc1nc2c3cnn(c4ccccc4)c3ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3072 |
| logD: | 3.2646 |
| logSw: | -3.3655 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 82.947 |
| InChI Key: | PQIFKTOZEPXQID-UHFFFAOYSA-N |