N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-{[4-methyl-5-(2-methylpropyl)-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-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamide
N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8019-5124 |
| Compound Name: | N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 405.58 |
| Molecular Formula: | C19 H27 N5 O S2 |
| Smiles: | CC(C)Cc1c(C)nc([nH]1)SCC(Nc1c(C#N)c(C)c(CCSC)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8887 |
| logD: | 2.6102 |
| logSw: | -3.2084 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.866 |
| InChI Key: | ZMKHABXJONLWNT-UHFFFAOYSA-N |