4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2,6-dimethoxyphenyl morpholine-4-carboxylate
Chemical Structure Depiction of
4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2,6-dimethoxyphenyl morpholine-4-carboxylate
4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2,6-dimethoxyphenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 8010-5606 |
| Compound Name: | 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2,6-dimethoxyphenyl morpholine-4-carboxylate |
| Molecular Weight: | 455.47 |
| Molecular Formula: | C23 H25 N3 O7 |
| Smiles: | COc1cc(cc(c1OC(N1CCOCC1)=O)OC)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3729 |
| logD: | 1.3729 |
| logSw: | -1.9187 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.541 |
| InChI Key: | WIKGFSQXRKPATH-LJQANCHMSA-N |