5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[4-(piperidin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[4-(piperidin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[4-(piperidin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0338 |
| Compound Name: | 5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[4-(piperidin-1-yl)phenyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(Nc2ccc(cc2)N2CCCCC2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5039 |
| logD: | 4.4869 |
| logSw: | -4.1606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.875 |
| InChI Key: | KSNJYFNXBLPGEC-XMMPIXPASA-N |