1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-{[(3-methylbutyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-{[(3-methylbutyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-{[(3-methylbutyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0696 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-{[(3-methylbutyl)amino]methyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 362.9 |
| Molecular Formula: | C20 H27 Cl N2 O2 |
| Smiles: | CC(C)CCNCc1c(C(O)=O)c(C)n(Cc2cccc(c2)[Cl])c1C |
| Stereo: | ACHIRAL |
| logP: | 4.0696 |
| logD: | 4.0696 |
| logSw: | -4.3183 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.223 |
| InChI Key: | GKURKJKAMLPFTM-UHFFFAOYSA-N |