2-amino-4-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3536-0260 |
| Compound Name: | 2-amino-4-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 436.89 |
| Molecular Formula: | C24 H21 Cl N2 O4 |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)[Cl])C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6496 |
| logD: | 3.6496 |
| logSw: | -4.5807 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.591 |
| InChI Key: | LLPYDQQFTCMQSA-UHFFFAOYSA-N |