2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}acetamide
Chemical Structure Depiction of
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}acetamide
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}acetamide
Compound characteristics
| Compound ID: | 8019-7625 |
| Compound Name: | 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}acetamide |
| Molecular Weight: | 351.45 |
| Molecular Formula: | C13 H17 N7 O S2 |
| Smiles: | Cc1c(C#N)c(NC(CSc2nc(N)n[nH]2)=O)[nH]c1CCSC |
| Stereo: | ACHIRAL |
| logP: | 0.4573 |
| logD: | 0.1754 |
| logSw: | -1.5515 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 104.957 |
| InChI Key: | WUEMMWQRMMOCJS-UHFFFAOYSA-N |