4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-ethoxyphenyl morpholine-4-carboxylate
Chemical Structure Depiction of
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-ethoxyphenyl morpholine-4-carboxylate
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-ethoxyphenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 8010-3646 |
| Compound Name: | 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-ethoxyphenyl morpholine-4-carboxylate |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C25 H29 N3 O6 |
| Smiles: | CCOc1cc(ccc1OC(N1CCOCC1)=O)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1616 |
| logD: | 2.1616 |
| logSw: | -2.7595 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.404 |
| InChI Key: | JGZQTWKCIBMNTO-OAQYLSRUSA-N |