N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide
N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8019-3403 |
| Compound Name: | N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-({5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-imidazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C26 H25 N5 O2 S |
| Smiles: | Cc1c(C#N)c(NC(CSc2nc(C)c(Cc3ccc(cc3)O)[nH]2)=O)[nH]c1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3063 |
| logD: | 3.2258 |
| logSw: | -3.5054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 88.94 |
| InChI Key: | JNLQKLGKWHTJML-UHFFFAOYSA-N |