1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1463 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C23 H28 N2 O2 S |
| Smiles: | Cc1ccc(C)c(Cn2c(C)c(CNCCc3cccs3)c(C(O)=O)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5833 |
| logD: | 4.5833 |
| logSw: | -4.3029 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.97 |
| InChI Key: | ZATXQOHBTFKHPI-UHFFFAOYSA-N |