methyl 2-{4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-sulfonyl}benzoate
Chemical Structure Depiction of
methyl 2-{4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-sulfonyl}benzoate
methyl 2-{4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-sulfonyl}benzoate
Compound characteristics
| Compound ID: | P227-1908 |
| Compound Name: | methyl 2-{4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-sulfonyl}benzoate |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | Cc1cccc(c1)c1cc(C2CCN(CC2)S(c2ccccc2C(=O)OC)(=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5121 |
| logD: | 4.5121 |
| logSw: | -4.2246 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.341 |
| InChI Key: | HUXMPPGLYIKSON-UHFFFAOYSA-N |