4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0953 |
| Compound Name: | 4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 440.51 |
| Molecular Formula: | C25 H29 F N2 O4 |
| Smiles: | Cc1c(CNCCc2ccc(c(c2)OC)OC)c(C(O)=O)c(C)n1Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.9867 |
| logD: | 2.9867 |
| logSw: | -3.1955 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.212 |
| InChI Key: | XJJCTRKZVKGUPD-UHFFFAOYSA-N |