2-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0458 |
| Compound Name: | 2-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | COc1ccc(cc1CSc1ccccn1)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7941 |
| logD: | 2.7941 |
| logSw: | -3.3922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.37 |
| InChI Key: | IEKDZEZJDAMROM-OAQYLSRUSA-N |