methyl 4-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-1,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-1,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-1,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F639-0082 |
| Compound Name: | methyl 4-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-1,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)S(c1cc(C(=O)OC)n(C)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9477 |
| logD: | 2.9477 |
| logSw: | -3.439 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.115 |
| InChI Key: | ZDGCZLITDMIKHH-UHFFFAOYSA-N |