N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide
N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8019-0071 |
| Compound Name: | N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 439.6 |
| Molecular Formula: | C22 H25 N5 O S2 |
| Smiles: | Cc1c(C#N)c(NC(CSc2nc(C)c(CCSC)[nH]2)=O)[nH]c1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0761 |
| logD: | 2.9265 |
| logSw: | -3.3617 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.595 |
| InChI Key: | AGYOTPQSQRPXCP-UHFFFAOYSA-N |