2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-3596 |
| Compound Name: | 2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile |
| Molecular Weight: | 362.41 |
| Molecular Formula: | C20 H14 N2 O3 S |
| Smiles: | CSc1ccc(cc1)C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1759 |
| logD: | 3.1759 |
| logSw: | -3.7106 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.7 |
| InChI Key: | UDCMGZACIRXGNN-MRXNPFEDSA-N |