4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl benzoate
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 benzoate
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl benzoate
Compound characteristics
| Compound ID: | 3448-2765 |
| Compound Name: | 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl benzoate |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C25 H22 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)OC(c2ccccc2)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.356 |
| logD: | 3.356 |
| logSw: | -3.6504 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.98 |
| InChI Key: | HYVFIXVDRPWKKU-OAQYLSRUSA-N |