2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-3962 |
| Compound Name: | 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 479.37 |
| Molecular Formula: | C25 H23 Br N2 O3 |
| Smiles: | Cc1cc(C)c(cc1COc1ccccc1[Br])C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8535 |
| logD: | 4.8535 |
| logSw: | -4.8419 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.916 |
| InChI Key: | PRDYZOAAQSCWHY-HSZRJFAPSA-N |