3-[3-(4-benzylpiperidine-1-carbonyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[3-(4-benzylpiperidine-1-carbonyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(4-benzylpiperidine-1-carbonyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D473-2140 |
| Compound Name: | 3-[3-(4-benzylpiperidine-1-carbonyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | COc1ccc(cc1)c1cc(C(N2CCC(CC2)Cc2ccccc2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9768 |
| logD: | 3.9768 |
| logSw: | -4.2534 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.252 |
| InChI Key: | IQMGLLIHTUESQX-HSZRJFAPSA-N |