1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0832 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 487.69 |
| Molecular Formula: | C31 H41 N3 O2 |
| Smiles: | Cc1ccc(CN2CCC(CC2)CNCc2c(C(O)=O)c(C)n(Cc3cc(C)ccc3C)c2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1117 |
| logD: | 6.1117 |
| logSw: | -5.2925 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.842 |
| InChI Key: | QPXZIRCRRYEIMK-UHFFFAOYSA-N |