2-amino-4-[2-(ethylsulfanyl)-5-methylfuran-3-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[2-(ethylsulfanyl)-5-methylfuran-3-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[2-(ethylsulfanyl)-5-methylfuran-3-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-9242 |
| Compound Name: | 2-amino-4-[2-(ethylsulfanyl)-5-methylfuran-3-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 330.4 |
| Molecular Formula: | C17 H18 N2 O3 S |
| Smiles: | CCSc1c(cc(C)o1)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6378 |
| logD: | 2.6378 |
| logSw: | -2.9338 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.148 |
| InChI Key: | OBJIQHCYCNFQEV-CQSZACIVSA-N |