2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G856-6840 |
| Compound Name: | 2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 445.42 |
| Molecular Formula: | C20 H14 F3 N5 O2 S |
| Smiles: | C(C(Nc1ccc(cc1)C(F)(F)F)=O)Sc1nnc2NC(C=C(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4739 |
| logD: | 3.467 |
| logSw: | -3.8819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.984 |
| InChI Key: | DCIBGWNPZWZWMQ-UHFFFAOYSA-N |