methyl 5-methyl-2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-methyl-2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-1,3-thiazole-4-carboxylate
methyl 5-methyl-2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | J103-0343 |
| Compound Name: | methyl 5-methyl-2-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 362.41 |
| Molecular Formula: | C16 H18 N4 O4 S |
| Smiles: | Cc1c(C(=O)OC)nc(NC(CN2C(C=C3CCCCC3=N2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.8944 |
| logD: | 1.872 |
| logSw: | -2.5485 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.373 |
| InChI Key: | QSPWMKDJKBQUHE-UHFFFAOYSA-N |