2-amino-6-benzyl-4-(4-hydroxy-3,5-dimethoxyphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-benzyl-4-(4-hydroxy-3,5-dimethoxyphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-6-benzyl-4-(4-hydroxy-3,5-dimethoxyphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | E738-0023 |
| Compound Name: | 2-amino-6-benzyl-4-(4-hydroxy-3,5-dimethoxyphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 517.56 |
| Molecular Formula: | C27 H23 N3 O6 S |
| Smiles: | COc1cc(cc(c1O)OC)C1C(C#N)=C(N)OC2=C1S(N(Cc1ccccc1)c1ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0395 |
| logD: | 3.0386 |
| logSw: | -3.5569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.313 |
| InChI Key: | CHPKRDOOTXYFBQ-QHCPKHFHSA-N |