2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)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-[(3-methoxyphenyl)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-[(3-methoxyphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | E738-0473 |
| Compound Name: | 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 547.59 |
| Molecular Formula: | C28 H25 N3 O7 S |
| Smiles: | COc1cccc(CN2c3ccccc3C3=C(C(C(C#N)=C(N)O3)c3cc(c(c(c3)OC)O)OC)S2(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0949 |
| logD: | 3.094 |
| logSw: | -3.5783 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.857 |
| InChI Key: | APBRERANXCKLEW-DEOSSOPVSA-N |