1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1400 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C27 H32 N2 O2 |
| Smiles: | Cc1ccc(C)c(Cn2c(C)c(CNC3CCCc4ccccc34)c(C(O)=O)c2C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6185 |
| logD: | 5.6185 |
| logSw: | -5.2025 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.744 |
| InChI Key: | RITIVUBXODPJGZ-VWLOTQADSA-N |