4-{[4-(propan-2-yl)phenyl]methyl}-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
4-{[4-(propan-2-yl)phenyl]methyl}-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-{[4-(propan-2-yl)phenyl]methyl}-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0425 |
| Compound Name: | 4-{[4-(propan-2-yl)phenyl]methyl}-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C25 H21 F3 N4 O2 S |
| Smiles: | CC(C)c1ccc(CN2C3=NN(Cc4cccc(c4)C(F)(F)F)C(N3c3ccsc3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1441 |
| logD: | 6.1441 |
| logSw: | -5.6726 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.954 |
| InChI Key: | NRVDHGQTHPDGEY-UHFFFAOYSA-N |