methyl 4-{4-[bis(4-fluorophenyl)methyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[bis(4-fluorophenyl)methyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate
methyl 4-{4-[bis(4-fluorophenyl)methyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G070-1223 |
| Compound Name: | methyl 4-{4-[bis(4-fluorophenyl)methyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 475.51 |
| Molecular Formula: | C23 H23 F2 N3 O4 S |
| Smiles: | COC(c1cc(c[nH]1)S(N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6767 |
| logD: | 3.6766 |
| logSw: | -3.9607 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.84 |
| InChI Key: | PMKCPHWUTDRBCZ-UHFFFAOYSA-N |