2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[3-(4-phenylpiperazin-1-yl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[3-(4-phenylpiperazin-1-yl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[3-(4-phenylpiperazin-1-yl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0164 |
| Compound Name: | 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[3-(4-phenylpiperazin-1-yl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 474.65 |
| Molecular Formula: | C29 H38 N4 O2 |
| Smiles: | Cc1cccc(Cn2c(C)c(CNCCCN3CCN(CC3)c3ccccc3)c(C(O)=O)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0228 |
| logD: | 4.0228 |
| logSw: | -4.1341 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.194 |
| InChI Key: | MZLWBGGHIWYTJJ-UHFFFAOYSA-N |