N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | Y505-2743 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 338.39 |
| Molecular Formula: | C16 H14 N6 O S |
| Smiles: | Cc1cc(C(Nc2c(C#N)c3CCCCc3s2)=O)n2c(ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0882 |
| logD: | -0.4533 |
| logSw: | -2.6893 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.662 |
| InChI Key: | FGXKZHIFDFEGOH-UHFFFAOYSA-N |