2-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0139 |
| Compound Name: | 2-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C23 H32 N4 O3 |
| Smiles: | Cc1cn(C)c(CC(NCCCN2CCN(CC2)Cc2ccccc2)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0149 |
| logD: | 1.0149 |
| logSw: | -1.7125 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.778 |
| InChI Key: | JCDUVAYCCYVMHK-UHFFFAOYSA-N |