2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8002-7024 |
| Compound Name: | 2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 312.39 |
| Molecular Formula: | C17 H16 N2 O2 S |
| Smiles: | CSc1ccc(cc1)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4808 |
| logD: | 2.4808 |
| logSw: | -2.7342 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.602 |
| InChI Key: | ODUWWRMAWVFCNY-OAHLLOKOSA-N |