methyl 5-benzyl-2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-benzyl-2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-1,3-thiazole-4-carboxylate
methyl 5-benzyl-2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | J103-0220 |
| Compound Name: | methyl 5-benzyl-2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | COC(c1c(Cc2ccccc2)sc(NC(CN2C(C=C3CCCCC3=N2)=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4391 |
| logD: | 3.4342 |
| logSw: | -3.7863 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.101 |
| InChI Key: | MBUSNLBXWUISDJ-UHFFFAOYSA-N |