ethyl 6-amino-5-cyano-2-methyl-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5-cyano-2-methyl-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-2-methyl-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-6067 |
| Compound Name: | ethyl 6-amino-5-cyano-2-methyl-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-4H-pyran-3-carboxylate |
| Molecular Weight: | 371.42 |
| Molecular Formula: | C17 H17 N5 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1C)c1cc(Cn2cncn2)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.921 |
| logD: | 0.921 |
| logSw: | -1.5758 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.441 |
| InChI Key: | ADVDMOOKBSACGF-HNNXBMFYSA-N |