N-[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-1H-pyrazol-5-yl]-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamide
Chemical Structure Depiction of
N-[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-1H-pyrazol-5-yl]-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamide
N-[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-1H-pyrazol-5-yl]-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamide
Compound characteristics
| Compound ID: | Y043-4169 |
| Compound Name: | N-[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-1H-pyrazol-5-yl]-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamide |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C18 H27 N5 O3 S |
| Smiles: | CCn1c(C)c(CCC(Nc2cc(C)nn2C2CCS(C2)(=O)=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.1223 |
| logD: | -0.1228 |
| logSw: | -2.1017 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.906 |
| InChI Key: | CJMSCNLHARMWBE-OAHLLOKOSA-N |