1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-4-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-4-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-4-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-1234 |
| Compound Name: | 1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-4-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C25 H30 N2 O3 S |
| Smiles: | Cc1c(CNCCc2ccc(cc2)SC)c(C(O)=O)c(C)n1Cc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1423 |
| logD: | 4.1423 |
| logSw: | -4.3119 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.495 |
| InChI Key: | DVYZUOHPQOJZGW-UHFFFAOYSA-N |