1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3,5-dimethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3,5-dimethyl-1H-pyrazole-4-carboxamide
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3,5-dimethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y043-5414 |
| Compound Name: | 1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3,5-dimethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C19 H21 F N6 O3 S |
| Smiles: | Cc1c(C(Nc2nc(Cc3ccc(cc3)F)[nH]n2)=O)c(C)n(C2CCS(C2)(=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1176 |
| logD: | 0.6888 |
| logSw: | -2.315 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.927 |
| InChI Key: | WGHAIKMWTZIKLF-OAHLLOKOSA-N |