ethyl 4-{[2-(4-benzylpiperazin-1-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(4-benzylpiperazin-1-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[2-(4-benzylpiperazin-1-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E137-0259 |
| Compound Name: | ethyl 4-{[2-(4-benzylpiperazin-1-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C23 H32 N4 O3 |
| Smiles: | CCOC(c1c(C)c(C(NCCN2CCN(CC2)Cc2ccccc2)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1386 |
| logD: | 2 |
| logSw: | -2.5725 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.751 |
| InChI Key: | DMRFPNQSTLDBFX-UHFFFAOYSA-N |