1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-1123 |
| Compound Name: | 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C24 H28 N2 O3 S |
| Smiles: | Cc1c(CNCc2ccc(cc2)SC)c(C(O)=O)c(C)n1Cc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3873 |
| logD: | 4.3873 |
| logSw: | -4.4657 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.654 |
| InChI Key: | VWDUXBZHLYPKJW-UHFFFAOYSA-N |