ethyl 5-tert-butyl-1-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-tert-butyl-1-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
ethyl 5-tert-butyl-1-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V029-6421 |
| Compound Name: | ethyl 5-tert-butyl-1-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1cc(C(C)(C)C)n(C2CCN(CC2)S(c2ccccc2C)(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1881 |
| logD: | 4.1881 |
| logSw: | -4.0706 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.439 |
| InChI Key: | MXJCPQWOTFLOTB-UHFFFAOYSA-N |