1-[(2-chloro-4-fluorophenyl)methyl]-4-({[(4-ethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[(4-ethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[(4-ethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1913 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[(4-ethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 444.93 |
| Molecular Formula: | C24 H26 Cl F N2 O3 |
| Smiles: | CCOc1ccc(CNCc2c(C(O)=O)c(C)n(Cc3ccc(cc3[Cl])F)c2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8441 |
| logD: | 4.8441 |
| logSw: | -4.5661 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.233 |
| InChI Key: | XADWUFOJBVMWSX-UHFFFAOYSA-N |