N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6841 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 479.87 |
| Molecular Formula: | C20 H13 Cl F3 N5 O2 S |
| Smiles: | C(C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)Sc1nnc2NC(C=C(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8261 |
| logD: | 3.7995 |
| logSw: | -4.384 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.286 |
| InChI Key: | QXUNINRZSGDXOG-UHFFFAOYSA-N |