2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | E738-0273 |
| Compound Name: | 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C28 H25 N3 O6 S |
| Smiles: | Cc1ccc(CN2c3ccccc3C3=C(C(C(C#N)=C(N)O3)c3cc(c(c(c3)OC)O)OC)S2(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4629 |
| logD: | 3.462 |
| logSw: | -3.9829 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.313 |
| InChI Key: | MWMGIVQCCQTTOV-DEOSSOPVSA-N |