methyl 4-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate
methyl 4-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E746-1796 |
| Compound Name: | methyl 4-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C18 H22 Cl N3 O5 S |
| Smiles: | COC(c1cc(c[nH]1)S(N1CCN(CC1)CCOc1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5584 |
| logD: | 2.5553 |
| logSw: | -3.485 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.216 |
| InChI Key: | INYNUKCQWPHSGT-UHFFFAOYSA-N |