1,4-dimethyl-2-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1,4-dimethyl-2-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid
1,4-dimethyl-2-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C066-5635 |
| Compound Name: | 1,4-dimethyl-2-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C17 H20 N2 O3 S |
| Smiles: | Cc1cn(C)c(CC(NCc2ccc(cc2)SC)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2859 |
| logD: | 0.4867 |
| logSw: | -2.4987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.413 |
| InChI Key: | HRJPBAGOMWSIGQ-UHFFFAOYSA-N |