N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide
N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8018-9839 |
| Compound Name: | N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 363.5 |
| Molecular Formula: | C16 H21 N5 O S2 |
| Smiles: | Cc1c(C#N)c(NC(CSc2nc(C)c(CCSC)[nH]2)=O)[nH]c1C |
| Stereo: | ACHIRAL |
| logP: | 1.8114 |
| logD: | 1.4603 |
| logSw: | -2.2304 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.177 |
| InChI Key: | QNTZFQBVUQNKDV-UHFFFAOYSA-N |