9-tert-butyl-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
9-tert-butyl-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-tert-butyl-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-3618 |
| Compound Name: | 9-tert-butyl-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 448.51 |
| Molecular Formula: | C21 H23 F3 N6 S |
| Smiles: | Cc1cc(C(F)(F)F)nn1Cc1nc2c3c4CCC(Cc4sc3N=Cn2n1)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6003 |
| logD: | 4.6001 |
| logSw: | -4.5372 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 48.767 |
| InChI Key: | XIQNTRFFPNOFKZ-GFCCVEGCSA-N |