2-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-6-methoxyphenyl furan-2-carboxylate
Chemical Structure Depiction of
2-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-6-methoxyphenyl furan-2-carboxylate
2-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-6-methoxyphenyl furan-2-carboxylate
Compound characteristics
| Compound ID: | 8011-0688 |
| Compound Name: | 2-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-6-methoxyphenyl furan-2-carboxylate |
| Molecular Weight: | 406.39 |
| Molecular Formula: | C22 H18 N2 O6 |
| Smiles: | COc1cccc(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)c1OC(c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1271 |
| logD: | 2.1271 |
| logSw: | -2.8291 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.362 |
| InChI Key: | JNLNAOLYDDOFBR-GOSISDBHSA-N |