methyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
methyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E138-0998 |
| Compound Name: | methyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C18 H22 Cl N3 O4 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)S(c1cc(C(=O)OC)n(C)c1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9283 |
| logD: | 2.9283 |
| logSw: | -3.3519 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.393 |
| InChI Key: | KLDZVFOQGWJXSH-UHFFFAOYSA-N |