ethyl 4-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
ethyl 4-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | E966-1329 |
| Compound Name: | ethyl 4-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Smiles: | CCOC(c1c(c(C)n(C)c1C)S(N1CCN(CC1)c1cc(C)ccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3693 |
| logD: | 3.3693 |
| logSw: | -3.7996 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.442 |
| InChI Key: | WSXQNCNRHJNGKG-UHFFFAOYSA-N |