4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0787 |
| Compound Name: | 4-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C25 H28 N2 O4 |
| Smiles: | Cc1ccc(C)c(Cn2c(C)c(CNCc3ccc4c(c3)OCO4)c(C(O)=O)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7094 |
| logD: | 4.7094 |
| logSw: | -4.4629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.225 |
| InChI Key: | KOBDPRXISGHEFD-UHFFFAOYSA-N |