methyl 4-(4-benzylpiperazine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-(4-benzylpiperazine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
methyl 4-(4-benzylpiperazine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E138-1031 |
| Compound Name: | methyl 4-(4-benzylpiperazine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Smiles: | Cn1cc(cc1C(=O)OC)S(N1CCN(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3267 |
| logD: | 1.3198 |
| logSw: | -2.2841 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.974 |
| InChI Key: | IKPUCCYGNBGAAA-UHFFFAOYSA-N |