1-[(2-chloro-6-fluorophenyl)methyl]-4-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-6-fluorophenyl)methyl]-4-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-6-fluorophenyl)methyl]-4-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2039 |
| Compound Name: | 1-[(2-chloro-6-fluorophenyl)methyl]-4-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 460.93 |
| Molecular Formula: | C24 H26 Cl F N2 O4 |
| Smiles: | Cc1c(CNCc2ccc(c(c2)OC)OC)c(C(O)=O)c(C)n1Cc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.8406 |
| logD: | 3.8406 |
| logSw: | -4.1682 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.371 |
| InChI Key: | XAEFDTPMZHEXHH-UHFFFAOYSA-N |