4-[(benzylamino)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[(benzylamino)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-[(benzylamino)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1268 |
| Compound Name: | 4-[(benzylamino)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C22 H22 Cl F N2 O2 |
| Smiles: | Cc1c(CNCc2ccccc2)c(C(O)=O)c(C)n1Cc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.2257 |
| logD: | 4.2257 |
| logSw: | -4.3503 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.11 |
| InChI Key: | QKVNDDBCNYSHLZ-UHFFFAOYSA-N |