1,4-dimethyl-2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1,4-dimethyl-2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
1,4-dimethyl-2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0111 |
| Compound Name: | 1,4-dimethyl-2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 369.46 |
| Molecular Formula: | C21 H27 N3 O3 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(Cc1c(C(O)=O)c(C)cn1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7765 |
| logD: | 0.9773 |
| logSw: | -2.5046 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.813 |
| InChI Key: | ZWHPYUFFNJLUAV-INIZCTEOSA-N |