methyl 4-{2-amino-3-cyano-6-[(2-methylphenyl)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-[(2-methylphenyl)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-[(2-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl}benzoate
Compound characteristics
| Compound ID: | E738-0433 |
| Compound Name: | methyl 4-{2-amino-3-cyano-6-[(2-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl}benzoate |
| Molecular Weight: | 513.57 |
| Molecular Formula: | C28 H23 N3 O5 S |
| Smiles: | Cc1ccccc1CN1c2ccccc2C2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)C(=O)OC)S1(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7841 |
| logD: | 4.7841 |
| logSw: | -4.7945 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.747 |
| InChI Key: | VGWIKPGJWIYWJN-DEOSSOPVSA-N |