methyl 4-(4-benzylpiperidine-1-sulfonyl)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-(4-benzylpiperidine-1-sulfonyl)-1H-pyrrole-2-carboxylate
methyl 4-(4-benzylpiperidine-1-sulfonyl)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E511-3913 |
| Compound Name: | methyl 4-(4-benzylpiperidine-1-sulfonyl)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C18 H22 N2 O4 S |
| Smiles: | COC(c1cc(c[nH]1)S(N1CCC(CC1)Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.395 |
| logD: | 3.395 |
| logSw: | -3.9741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.007 |
| InChI Key: | SKXGIIGASZRMQT-UHFFFAOYSA-N |