4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1074 |
| Compound Name: | 4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C23 H22 Cl F N2 O4 |
| Smiles: | Cc1c(CNCc2ccc3c(c2)OCO3)c(C(O)=O)c(C)n1Cc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.3882 |
| logD: | 4.3882 |
| logSw: | -4.3749 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.225 |
| InChI Key: | SJKKONSGSAWKNT-UHFFFAOYSA-N |