methyl {2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-5,7-dimethyl-1,3-benzothiazol-3(2H)-yl}acetate
Chemical Structure Depiction of
methyl {2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-5,7-dimethyl-1,3-benzothiazol-3(2H)-yl}acetate
methyl {2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-5,7-dimethyl-1,3-benzothiazol-3(2H)-yl}acetate
Compound characteristics
Compound ID: | G786-0381 |
Compound Name: | methyl {2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-5,7-dimethyl-1,3-benzothiazol-3(2H)-yl}acetate |
Molecular Weight: | 412.46 |
Molecular Formula: | C21 H20 N2 O5 S |
Smiles: | Cc1cc(C)c2c(c1)N(CC(=O)OC)/C(=N/C(c1ccc3c(c1)OCCO3)=O)S2 |
Stereo: | ACHIRAL |
logP: | 2.7252 |
logD: | 2.7252 |
logSw: | -2.9513 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 61.932 |
InChI Key: | QPXCADXBDDWBHP-UHFFFAOYSA-N |