ethyl 4-{4-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoyl}piperazine-1-carboxylate
ethyl 4-{4-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | E667-1693 |
| Compound Name: | ethyl 4-{4-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoyl}piperazine-1-carboxylate |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C23 H29 N3 O5 |
| Smiles: | CCOC(c1cc(C)n(c2ccc(cc2)C(N2CCN(CC2)C(=O)OCC)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9113 |
| logD: | 2.9113 |
| logSw: | -3.1051 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.085 |
| InChI Key: | MLVGTTQQJDOTTG-UHFFFAOYSA-N |