N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide
N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8019-5125 |
| Compound Name: | N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C22 H25 N5 O2 S2 |
| Smiles: | Cc1c(C#N)c(NC(CSc2nc(C)c(Cc3ccc(cc3)O)[nH]2)=O)[nH]c1CCSC |
| Stereo: | ACHIRAL |
| logP: | 2.4564 |
| logD: | 2.1841 |
| logSw: | -2.6641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 89.212 |
| InChI Key: | ZDDSBHDROJMBDJ-UHFFFAOYSA-N |