methyl 1-methyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 1-methyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate
methyl 1-methyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E138-1040 |
| Compound Name: | methyl 1-methyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 431.43 |
| Molecular Formula: | C18 H20 F3 N3 O4 S |
| Smiles: | Cn1cc(cc1C(=O)OC)S(N1CCN(CC1)c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4464 |
| logD: | 2.4464 |
| logSw: | -2.703 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.693 |
| InChI Key: | STMPPTVFEZHLRQ-UHFFFAOYSA-N |