methyl {6-acetamido-2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-1,3-benzothiazol-3(2H)-yl}acetate
Chemical Structure Depiction of
methyl {6-acetamido-2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-1,3-benzothiazol-3(2H)-yl}acetate
methyl {6-acetamido-2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-1,3-benzothiazol-3(2H)-yl}acetate
Compound characteristics
| Compound ID: | G786-0368 |
| Compound Name: | methyl {6-acetamido-2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-1,3-benzothiazol-3(2H)-yl}acetate |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | CC(Nc1ccc2c(c1)SC(=N/C(c1ccc3c(c1)OCCO3)=O)\N2CC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2867 |
| logD: | 1.2867 |
| logSw: | -2.382 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.194 |
| InChI Key: | WSLVIOPDQMUQHS-UHFFFAOYSA-N |