methyl 4-(4-benzylpiperazine-1-sulfonyl)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-(4-benzylpiperazine-1-sulfonyl)-1H-pyrrole-2-carboxylate
methyl 4-(4-benzylpiperazine-1-sulfonyl)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E511-3863 |
| Compound Name: | methyl 4-(4-benzylpiperazine-1-sulfonyl)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 363.43 |
| Molecular Formula: | C17 H21 N3 O4 S |
| Smiles: | COC(c1cc(c[nH]1)S(N1CCN(CC1)Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6831 |
| logD: | 1.6762 |
| logSw: | -2.6055 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.82 |
| InChI Key: | UNPQMLYZKBJBCZ-UHFFFAOYSA-N |