methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoate
methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoate
Compound characteristics
| Compound ID: | 3448-7871 |
| Compound Name: | methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C20 H20 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)C(=O)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4523 |
| logD: | 2.4523 |
| logSw: | -2.7191 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.776 |
| InChI Key: | UBVCXYTVNQJOJJ-MRXNPFEDSA-N |