2-amino-4-[3-(benzyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[3-(benzyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[3-(benzyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8002-6995 |
| Compound Name: | 2-amino-4-[3-(benzyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C25 H24 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cccc(c2)OCc2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8068 |
| logD: | 3.8068 |
| logSw: | -4.4021 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.83 |
| InChI Key: | WLIASQLZDHSSSF-JOCHJYFZSA-N |