4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl acetate
4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 2119-2668 |
| Compound Name: | 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl acetate |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C19 H18 N2 O5 |
| Smiles: | CC(=O)Oc1ccc(cc1OC)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3298 |
| logD: | 1.3298 |
| logSw: | -2 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.07 |
| InChI Key: | XQPPLTBYFRXUTE-QGZVFWFLSA-N |