methyl 4-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F639-0217 |
| Compound Name: | methyl 4-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C20 H26 Cl N3 O5 S |
| Smiles: | Cc1c(cc(C(=O)OC)n1C)S(N1CCN(CC1)CCOc1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3805 |
| logD: | 2.3774 |
| logSw: | -3.1015 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.092 |
| InChI Key: | MQJCRTYUHPNSKD-UHFFFAOYSA-N |