2-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl morpholine-4-carboxylate
Chemical Structure Depiction of
2-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl morpholine-4-carboxylate
2-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 3448-4030 |
| Compound Name: | 2-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl morpholine-4-carboxylate |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C21 H21 N3 O5 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2ccccc2OC(N2CCOCC2)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4596 |
| logD: | 1.4596 |
| logSw: | -1.8861 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.194 |
| InChI Key: | MZQPKIRQIXRHBL-GOSISDBHSA-N |