1-ethyl-4-methyl-2-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-4-methyl-2-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid
1-ethyl-4-methyl-2-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C066-5636 |
| Compound Name: | 1-ethyl-4-methyl-2-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C18 H22 N2 O3 S |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(NCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5996 |
| logD: | 0.8004 |
| logSw: | -2.6085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.582 |
| InChI Key: | NHUVRNYGJKTXPU-UHFFFAOYSA-N |