methyl N-[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carbonyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carbonyl]-beta-alaninate
methyl N-[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-8979 |
| Compound Name: | methyl N-[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-carbonyl]-beta-alaninate |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C14 H21 N3 O5 S |
| Smiles: | Cc1c(C(NCCC(=O)OC)=O)c(C)n(C2CCS(C2)(=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.4365 |
| logD: | -1.4365 |
| logSw: | -1.4244 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.032 |
| InChI Key: | YLPHIKYBGUYTGQ-LLVKDONJSA-N |