ethyl 4-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F639-0477 |
| Compound Name: | ethyl 4-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | CCOC(c1cc(c(C)n1C)S(N1CCN(CC1)c1cc(C)ccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4371 |
| logD: | 3.4371 |
| logSw: | -3.752 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.695 |
| InChI Key: | BCTHMOFNHOVISL-UHFFFAOYSA-N |