1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-{[({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-{[({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-{[({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0643 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-{[({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 494.08 |
| Molecular Formula: | C29 H36 Cl N3 O2 |
| Smiles: | Cc1ccccc1CN1CCC(CC1)CNCc1c(C(O)=O)c(C)n(Cc2ccc(cc2)[Cl])c1C |
| Stereo: | ACHIRAL |
| logP: | 5.872 |
| logD: | 5.872 |
| logSw: | -5.8626 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.842 |
| InChI Key: | DSDOLPFWZHBFEF-UHFFFAOYSA-N |