ethyl 1-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-5-propyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-5-propyl-1H-pyrazole-3-carboxylate
ethyl 1-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-5-propyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V001-6985 |
| Compound Name: | ethyl 1-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-5-propyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCc1cc(C(=O)OCC)nn1C1CCN(CC1)S(c1ccccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8838 |
| logD: | 3.8838 |
| logSw: | -3.7651 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.92 |
| InChI Key: | ALYXVPWJIINFAY-UHFFFAOYSA-N |