N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0172 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C25 H29 N3 O5 S |
| Smiles: | Cc1ccc(cc1)c1cc(C(NCCc2ccc(c(c2)OC)OC)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3814 |
| logD: | 2.3814 |
| logSw: | -2.9064 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.847 |
| InChI Key: | ZPXNHCSWTWZBNX-HXUWFJFHSA-N |