4-[(benzylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[(benzylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
4-[(benzylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0101 |
| Compound Name: | 4-[(benzylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C23 H26 N2 O2 |
| Smiles: | Cc1cccc(Cn2c(C)c(CNCc3ccccc3)c(C(O)=O)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2592 |
| logD: | 4.2592 |
| logSw: | -4.4397 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.11 |
| InChI Key: | VRJBAOJRYZPWQL-UHFFFAOYSA-N |