methyl 2-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carbonyl]amino}-5-methyl-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carbonyl]amino}-5-methyl-1,3-thiazole-4-carboxylate
methyl 2-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carbonyl]amino}-5-methyl-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y042-6210 |
| Compound Name: | methyl 2-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carbonyl]amino}-5-methyl-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 412.48 |
| Molecular Formula: | C16 H20 N4 O5 S2 |
| Smiles: | Cc1c(C(Nc2nc(C(=O)OC)c(C)s2)=O)c(C)n(C2CCS(C2)(=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7115 |
| logD: | -0.6183 |
| logSw: | -1.9894 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.008 |
| InChI Key: | HJYLQDFAUQVMNB-LLVKDONJSA-N |