2-amino-7-hydroxy-4-[4-(methylsulfanyl)phenyl]-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7-hydroxy-4-[4-(methylsulfanyl)phenyl]-4H-1-benzopyran-3-carbonitrile
2-amino-7-hydroxy-4-[4-(methylsulfanyl)phenyl]-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1425 |
| Compound Name: | 2-amino-7-hydroxy-4-[4-(methylsulfanyl)phenyl]-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 310.37 |
| Molecular Formula: | C17 H14 N2 O2 S |
| Smiles: | CSc1ccc(cc1)C1C(C#N)=C(N)Oc2cc(ccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9768 |
| logD: | 2.9765 |
| logSw: | -3.2206 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.911 |
| InChI Key: | KRLMWYSXJTTWKX-INIZCTEOSA-N |