4,4-dimethyl-3,8-dioxo-1-sulfanyl-N-[3-(trifluoromethyl)phenyl]-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Chemical Structure Depiction of
4,4-dimethyl-3,8-dioxo-1-sulfanyl-N-[3-(trifluoromethyl)phenyl]-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
4,4-dimethyl-3,8-dioxo-1-sulfanyl-N-[3-(trifluoromethyl)phenyl]-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Compound characteristics
| Compound ID: | 8018-1191 |
| Compound Name: | 4,4-dimethyl-3,8-dioxo-1-sulfanyl-N-[3-(trifluoromethyl)phenyl]-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide |
| Molecular Weight: | 400.38 |
| Molecular Formula: | C16 H15 F3 N4 O3 S |
| Smiles: | CC1(C)C(N=C(N2C(CC(C(Nc3cccc(c3)C(F)(F)F)=O)N12)=O)S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7373 |
| logD: | -0.2555 |
| logSw: | -2.2872 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.906 |
| InChI Key: | VNLDKAPVNXXISZ-SNVBAGLBSA-N |