2-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-8,9,10,11,12,13-hexahydrocycloocta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-8,9,10,11,12,13-hexahydrocycloocta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-8,9,10,11,12,13-hexahydrocycloocta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | 8017-9683 |
| Compound Name: | 2-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-8,9,10,11,12,13-hexahydrocycloocta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C22 H19 F N6 S |
| Smiles: | C1CCCc2c(CC1)c1c3nc(c4cc(c5ccc(cc5)F)[nH]n4)nn3C=Nc1s2 |
| Stereo: | ACHIRAL |
| logP: | 5.4909 |
| logD: | 5.4908 |
| logSw: | -6.0166 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.397 |
| InChI Key: | QUWKFPSLNSVZNE-UHFFFAOYSA-N |