2-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
2-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0378 |
| Compound Name: | 2-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 361.48 |
| Molecular Formula: | C20 H31 N3 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(N1CCN(CC1)C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2008 |
| logD: | 0.4015 |
| logSw: | -1.8582 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.597 |
| InChI Key: | STOQXPAREFTJEA-UHFFFAOYSA-N |