methyl 4-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]benzoate
methyl 4-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | G835-0044 |
| Compound Name: | methyl 4-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamido]benzoate |
| Molecular Weight: | 341.36 |
| Molecular Formula: | C18 H19 N3 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(C=C2CCCCC2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2224 |
| logD: | 2.2224 |
| logSw: | -2.7935 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.556 |
| InChI Key: | QZLOKNHYEVARPN-UHFFFAOYSA-N |