1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2034 |
| Compound Name: | 1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 490.96 |
| Molecular Formula: | C25 H28 Cl F N2 O5 |
| Smiles: | Cc1c(CNCc2cc(c(c(c2)OC)OC)OC)c(C(O)=O)c(C)n1Cc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.0073 |
| logD: | 4.0073 |
| logSw: | -4.3804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.088 |
| InChI Key: | DCVIDCGJVHLRGD-UHFFFAOYSA-N |