2-amino-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-4640 |
| Compound Name: | 2-amino-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 520.58 |
| Molecular Formula: | C29 H32 N2 O7 |
| Smiles: | COc1cc(\C=C2/CCCC3C(C(C#N)=C(N)OC2=3)c2cc(c(c(c2)OC)OC)OC)cc(c1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9942 |
| logD: | 3.9942 |
| logSw: | -4.4373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.654 |
| InChI Key: | DJQXVTIJYFNVGK-VWLOTQADSA-N |