2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-{[(3-phenylpropyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-{[(3-phenylpropyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-{[(3-phenylpropyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0114 |
| Compound Name: | 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-{[(3-phenylpropyl)amino]methyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 390.53 |
| Molecular Formula: | C25 H30 N2 O2 |
| Smiles: | Cc1cccc(Cn2c(C)c(CNCCCc3ccccc3)c(C(O)=O)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0068 |
| logD: | 5.0068 |
| logSw: | -4.5811 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.951 |
| InChI Key: | XKAGNJPMEYLNCZ-UHFFFAOYSA-N |