2-amino-4-{5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-8881 |
| Compound Name: | 2-amino-4-{5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 513.82 |
| Molecular Formula: | C25 H22 Br Cl N2 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cc(ccc2OCc2ccc(cc2)[Cl])[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6465 |
| logD: | 5.6465 |
| logSw: | -5.8935 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.916 |
| InChI Key: | VFBOSPYJNTYQJM-JOCHJYFZSA-N |