methyl 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoate
methyl 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoate
Compound characteristics
| Compound ID: | 8010-7868 |
| Compound Name: | methyl 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)benzoate |
| Molecular Weight: | 324.33 |
| Molecular Formula: | C18 H16 N2 O4 |
| Smiles: | COC(c1ccc(cc1)C1C(C#N)=C(N)OC2CCCC(C1=2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8522 |
| logD: | 1.8522 |
| logSw: | -2.1641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.776 |
| InChI Key: | UNTMIGZGOAQTEC-OAHLLOKOSA-N |