ethyl 4-methyl-2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 4-methyl-2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-1,3-thiazole-5-carboxylate
ethyl 4-methyl-2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-1,3-thiazole-5-carboxylate
Compound characteristics
Compound ID: | J103-0030 |
Compound Name: | ethyl 4-methyl-2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-1,3-thiazole-5-carboxylate |
Molecular Weight: | 376.43 |
Molecular Formula: | C17 H20 N4 O4 S |
Smiles: | CCOC(c1c(C)nc(NC(CN2C(C=C3CCCCC3=N2)=O)=O)s1)=O |
Stereo: | ACHIRAL |
logP: | 2.2512 |
logD: | 2.2288 |
logSw: | -2.7102 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.759 |
InChI Key: | IMLQCLDKWNFEHK-UHFFFAOYSA-N |