2-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-7,7-dimethyl-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)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0461 |
| Compound Name: | 2-amino-4-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(CSc3ccccn3)c2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3942 |
| logD: | 3.3941 |
| logSw: | -3.8955 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.37 |
| InChI Key: | ZYBMZODAEOXDIY-JOCHJYFZSA-N |