methyl 4-{2-amino-3-cyano-6-[(3-methoxyphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-amino-3-cyano-6-[(3-methoxyphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl}benzoate
methyl 4-{2-amino-3-cyano-6-[(3-methoxyphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl}benzoate
Compound characteristics
| Compound ID: | E738-0483 |
| Compound Name: | methyl 4-{2-amino-3-cyano-6-[(3-methoxyphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl}benzoate |
| Molecular Weight: | 529.57 |
| Molecular Formula: | C28 H23 N3 O6 S |
| Smiles: | COC(c1ccc(cc1)C1C(C#N)=C(N)OC2=C1S(N(Cc1cccc(c1)OC)c1ccccc12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0832 |
| logD: | 4.0832 |
| logSw: | -4.5859 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.291 |
| InChI Key: | ZDKYCFBXOMEDEP-DEOSSOPVSA-N |