N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8019-4379 |
| Compound Name: | N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C19 H17 N7 O S |
| Smiles: | Cc1c(C#N)c(NC(CSc2nc3c(c4ccccc4n3C)nn2)=O)[nH]c1C |
| Stereo: | ACHIRAL |
| logP: | 2.1468 |
| logD: | 1.855 |
| logSw: | -2.6498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.845 |
| InChI Key: | WRVINQKWWNWPKR-UHFFFAOYSA-N |