4-(2-amino-3-cyano-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl morpholine-4-carboxylate
Chemical Structure Depiction of
4-(2-amino-3-cyano-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl morpholine-4-carboxylate
4-(2-amino-3-cyano-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 8010-8189 |
| Compound Name: | 4-(2-amino-3-cyano-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl morpholine-4-carboxylate |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C28 H27 N3 O6 |
| Smiles: | COc1cc(ccc1OC(N1CCOCC1)=O)C1C(C#N)=C(N)OC2CC(CC(C1=2)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2171 |
| logD: | 3.2171 |
| logSw: | -3.4788 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.553 |
| InChI Key: | KKXRPSITVDSBCR-UHFFFAOYSA-N |