ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl][3-(methylsulfanyl)phenyl]carbamamido}methyl)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl][3-(methylsulfanyl)phenyl]carbamamido}methyl)-1H-pyrrole-2-carboxylate
ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl][3-(methylsulfanyl)phenyl]carbamamido}methyl)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G799-0064 |
| Compound Name: | ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl][3-(methylsulfanyl)phenyl]carbamamido}methyl)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)C(Nc2cccc(c2)SC)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5163 |
| logD: | 5.5163 |
| logSw: | -5.3955 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.734 |
| InChI Key: | SMRHAFPWJQYBGU-UHFFFAOYSA-N |