propyl {6-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]-2-oxo-1,3-benzoxazol-3(2H)-yl}acetate
Chemical Structure Depiction of
propyl {6-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]-2-oxo-1,3-benzoxazol-3(2H)-yl}acetate
propyl {6-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]-2-oxo-1,3-benzoxazol-3(2H)-yl}acetate
Compound characteristics
Compound ID: | F064-1345 |
Compound Name: | propyl {6-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]-2-oxo-1,3-benzoxazol-3(2H)-yl}acetate |
Molecular Weight: | 461.51 |
Molecular Formula: | C20 H19 N3 O6 S2 |
Smiles: | CCCOC(CN1C(=O)Oc2cc(ccc12)S(Nc1nc2ccc(C)cc2s1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8573 |
logD: | 3.8454 |
logSw: | -3.9807 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 94.202 |
InChI Key: | ITYRLGZBMLFXDJ-UHFFFAOYSA-N |