N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Compound characteristics
| Compound ID: | 8018-1331 |
| Compound Name: | N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C15 H15 F N4 O3 S |
| Smiles: | CC1(C)C(N=C(N2C(CC(C(Nc3ccc(cc3)F)=O)N12)=O)S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7231 |
| logD: | -1.2697 |
| logSw: | -1.7359 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.906 |
| InChI Key: | YERIAVXDTGDSJD-SNVBAGLBSA-N |