4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl thiophene-2-carboxylate
4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8011-0689 |
| Compound Name: | 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl thiophene-2-carboxylate |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C22 H18 N2 O5 S |
| Smiles: | COc1cc(ccc1OC(c1cccs1)=O)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8304 |
| logD: | 2.8304 |
| logSw: | -3.4498 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.715 |
| InChI Key: | XNWDEGIRZKNSCU-LJQANCHMSA-N |