methyl 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
methyl 6-amino-5-cyano-2-methyl-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]thiophen-2-yl}-4H-pyran-3-carboxylate
methyl 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: | 8017-4153 |
| Compound Name: | methyl 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: | 357.39 |
| Molecular Formula: | C16 H15 N5 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cc(Cn2cncn2)cs1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4805 |
| logD: | 0.4805 |
| logSw: | -1.3781 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.862 |
| InChI Key: | ZGRMLGXPWOITGP-AWEZNQCLSA-N |