2-amino-4-(2,3-dimethoxyphenyl)-8-[(2,3-dimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2,3-dimethoxyphenyl)-8-[(2,3-dimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(2,3-dimethoxyphenyl)-8-[(2,3-dimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 6049-0231 |
| Compound Name: | 2-amino-4-(2,3-dimethoxyphenyl)-8-[(2,3-dimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C27 H28 N2 O5 |
| Smiles: | COc1cccc(/C=C2/CCCC3C(C(C#N)=C(N)OC2=3)c2cccc(c2OC)OC)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3053 |
| logD: | 4.3053 |
| logSw: | -4.7222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.394 |
| InChI Key: | CTVLQMQEWOKQLT-HSZRJFAPSA-N |