2-amino-4-[5-(2,5-dichlorophenyl)furan-2-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[5-(2,5-dichlorophenyl)furan-2-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[5-(2,5-dichlorophenyl)furan-2-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-0966 |
| Compound Name: | 2-amino-4-[5-(2,5-dichlorophenyl)furan-2-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 401.25 |
| Molecular Formula: | C20 H14 Cl2 N2 O3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2ccc(c3cc(ccc3[Cl])[Cl])o2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1532 |
| logD: | 4.1532 |
| logSw: | -4.5636 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.002 |
| InChI Key: | KAOSFTXLIJLGPR-SFHVURJKSA-N |