2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0815 |
| Compound Name: | 2,5-dimethyl-1-[(4-methylphenyl)methyl]-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 382.52 |
| Molecular Formula: | C22 H26 N2 O2 S |
| Smiles: | Cc1ccc(Cn2c(C)c(CNCCc3cccs3)c(C(O)=O)c2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.823 |
| logD: | 3.823 |
| logSw: | -4.1282 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.97 |
| InChI Key: | SYSIDMUTBYKRCG-UHFFFAOYSA-N |