1-[(2-chloro-6-fluorophenyl)methyl]-4-({[(4-ethoxy-3-methoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-6-fluorophenyl)methyl]-4-({[(4-ethoxy-3-methoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-6-fluorophenyl)methyl]-4-({[(4-ethoxy-3-methoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2040 |
| Compound Name: | 1-[(2-chloro-6-fluorophenyl)methyl]-4-({[(4-ethoxy-3-methoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 474.96 |
| Molecular Formula: | C25 H28 Cl F N2 O4 |
| Smiles: | CCOc1ccc(CNCc2c(C(O)=O)c(C)n(Cc3c(cccc3[Cl])F)c2C)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1862 |
| logD: | 4.1862 |
| logSw: | -4.4943 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.951 |
| InChI Key: | JFTQVPBJMRPIOJ-UHFFFAOYSA-N |