N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(5-butyl-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-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8018-9874 |
| Compound Name: | N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C23 H27 N5 O S |
| Smiles: | CCCCc1c(C)nc([nH]1)SCC(Nc1c(C#N)c(C)c(Cc2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8691 |
| logD: | 3.7674 |
| logSw: | -4.1335 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.595 |
| InChI Key: | KYTNNAYCGKXWKO-UHFFFAOYSA-N |