N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-[(4-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-[(4-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-[(4-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8019-5126 |
| Compound Name: | N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-[(4-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C21 H23 N5 O S2 |
| Smiles: | Cc1c(C#N)c(NC(CSc2nc(C)c(c3ccccc3)[nH]2)=O)[nH]c1CCSC |
| Stereo: | ACHIRAL |
| logP: | 3.0895 |
| logD: | 2.8145 |
| logSw: | -3.3352 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.099 |
| InChI Key: | CEKYXJOIKCPIBY-UHFFFAOYSA-N |