1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(pyridin-3-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(pyridin-3-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(pyridin-3-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0484 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-({[(pyridin-3-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C21 H22 F N3 O2 |
| Smiles: | Cc1c(CNCc2cccnc2)c(C(O)=O)c(C)n1Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.414 |
| logD: | 2.414 |
| logSw: | -2.0681 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.628 |
| InChI Key: | NRMXYUJFEUCXLS-UHFFFAOYSA-N |