methyl 4-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-1H-pyrrole-2-carboxylate
methyl 4-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E511-3526 |
| Compound Name: | methyl 4-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)S(c1cc(C(=O)OC)[nH]c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1256 |
| logD: | 3.1256 |
| logSw: | -3.5662 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.239 |
| InChI Key: | PJQRMRKPAIIALC-UHFFFAOYSA-N |