methyl 2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-5-phenyl-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-5-phenyl-1,3-thiazole-4-carboxylate
methyl 2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-5-phenyl-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | J103-0216 |
| Compound Name: | methyl 2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-5-phenyl-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | COC(c1c(c2ccccc2)sc(NC(CN2C(C=C3CCCCC3=N2)=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1944 |
| logD: | 3.1943 |
| logSw: | -3.4414 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.101 |
| InChI Key: | IACSRDIXYOUFFB-UHFFFAOYSA-N |