1-ethyl-4-methyl-2-(2-oxo-2-{[3-(4-phenylpiperazin-1-yl)propyl]amino}ethyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-4-methyl-2-(2-oxo-2-{[3-(4-phenylpiperazin-1-yl)propyl]amino}ethyl)-1H-pyrrole-3-carboxylic acid
1-ethyl-4-methyl-2-(2-oxo-2-{[3-(4-phenylpiperazin-1-yl)propyl]amino}ethyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0457 |
| Compound Name: | 1-ethyl-4-methyl-2-(2-oxo-2-{[3-(4-phenylpiperazin-1-yl)propyl]amino}ethyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C23 H32 N4 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(NCCCN1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6475 |
| logD: | 1.6475 |
| logSw: | -1.9392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.667 |
| InChI Key: | SIMLWXQBBBWMHK-UHFFFAOYSA-N |