3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | C200-8506 |
| Compound Name: | 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide |
| Molecular Weight: | 477.51 |
| Molecular Formula: | C22 H22 F3 N5 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(NCc3ccc(cc3)C(F)(F)F)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6464 |
| logD: | 3.6464 |
| logSw: | -3.7444 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.446 |
| InChI Key: | VOPOVCZJCKLNKT-UHFFFAOYSA-N |