methyl [3-oxo-6-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetate
Chemical Structure Depiction of
methyl [3-oxo-6-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetate
methyl [3-oxo-6-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetate
Compound characteristics
| Compound ID: | E786-1153 |
| Compound Name: | methyl [3-oxo-6-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetate |
| Molecular Weight: | 458.55 |
| Molecular Formula: | C22 H22 N2 O5 S2 |
| Smiles: | COC(CN1C(CSc2ccc(cc12)S(N1CCC(=CC1)c1ccccc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3707 |
| logD: | 3.3707 |
| logSw: | -3.9096 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 67.909 |
| InChI Key: | HIYLAOVRBFMPJB-UHFFFAOYSA-N |