4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl 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)phenyl morpholine-4-carboxylate
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 3448-4041 |
| Compound Name: | 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl morpholine-4-carboxylate |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C23 H25 N3 O5 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)OC(N2CCOCC2)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0061 |
| logD: | 2.0061 |
| logSw: | -2.2732 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.107 |
| InChI Key: | YGCVSKNJZKVUMI-LJQANCHMSA-N |