1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-{[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-{[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-{[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1917 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-{[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 458.96 |
| Molecular Formula: | C25 H28 Cl F N2 O3 |
| Smiles: | CC(C)Oc1ccc(CNCc2c(C(O)=O)c(C)n(Cc3ccc(cc3[Cl])F)c2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1416 |
| logD: | 5.1416 |
| logSw: | -5.2854 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.912 |
| InChI Key: | DOUHKBUDMQDNGG-UHFFFAOYSA-N |