2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl 2-chlorobenzoate
Chemical Structure Depiction of
2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl 2-chlorobenzoate
2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | 3448-9423 |
| Compound Name: | 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl 2-chlorobenzoate |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C25 H21 Cl N2 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccccc2OC(c2ccccc2[Cl])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2564 |
| logD: | 4.2564 |
| logSw: | -4.6075 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.067 |
| InChI Key: | MICZJMKXTBYCKM-OAQYLSRUSA-N |