ethyl 4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0025 |
| Compound Name: | ethyl 4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(N2CCN(CC2)Cc2ccccc2)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8737 |
| logD: | 2.8408 |
| logSw: | -3.0611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.635 |
| InChI Key: | IHVVFZJGIOKTQB-UHFFFAOYSA-N |