methyl 2-{2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-5-methyl-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-5-methyl-1,3-thiazole-4-carboxylate
methyl 2-{2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-5-methyl-1,3-thiazole-4-carboxylate
Compound characteristics
Compound ID: | Y042-5880 |
Compound Name: | methyl 2-{2-[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}-5-methyl-1,3-thiazole-4-carboxylate |
Molecular Weight: | 422.84 |
Molecular Formula: | C18 H15 Cl N2 O6 S |
Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(Nc1nc(C(=O)OC)c(C)s1)=O |
Stereo: | ACHIRAL |
logP: | 3.6838 |
logD: | 3.6274 |
logSw: | -4.1251 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.1 |
InChI Key: | QPBDJBVOXXFNDS-UHFFFAOYSA-N |