2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-6818 |
| Compound Name: | 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C21 H16 N2 O4 S |
| Smiles: | COc1ccc(c(c1)C1C(C#N)=C(N)OC2=C1C(=O)Sc1ccccc12)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4856 |
| logD: | 3.4856 |
| logSw: | -4.0074 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.945 |
| InChI Key: | VBBJRRUXYLEJEG-QGZVFWFLSA-N |