2-amino-6-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
2-amino-6-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-4536 |
| Compound Name: | 2-amino-6-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C21 H17 N3 O2 S |
| Smiles: | CN1C(C2C(C(C#N)=C(N)OC=2c2ccccc12)c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8468 |
| logD: | 2.8468 |
| logSw: | -3.76 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.918 |
| InChI Key: | IEDBIAGQMKXRHY-QGZVFWFLSA-N |