1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0803 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 382.52 |
| Molecular Formula: | C22 H26 N2 O2 S |
| Smiles: | Cc1ccc(C)c(Cn2c(C)c(CNCc3cccs3)c(C(O)=O)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5479 |
| logD: | 4.5479 |
| logSw: | -4.3079 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.128 |
| InChI Key: | MXUYOKQXKYHPSJ-UHFFFAOYSA-N |