2-amino-4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-3959 |
| Compound Name: | 2-amino-4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 477 |
| Molecular Formula: | C28 H29 Cl N2 O3 |
| Smiles: | Cc1cc(C)c(cc1COc1ccc(cc1C)[Cl])C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3669 |
| logD: | 6.3669 |
| logSw: | -6.1651 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.916 |
| InChI Key: | WDGUCTLTBVQBLF-RUZDIDTESA-N |