methyl N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-beta-alaninate
methyl N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-beta-alaninate
Compound characteristics
| Compound ID: | IB09-3352 |
| Compound Name: | methyl N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-beta-alaninate |
| Molecular Weight: | 293.32 |
| Molecular Formula: | C14 H19 N3 O4 |
| Smiles: | COC(CCNC(CN1C(C=C2CCCCC2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.27 |
| logD: | -0.27 |
| logSw: | -1.13 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 139.14 |
| InChI Key: | AQAPGVIIVUJLBX-UHFFFAOYSA-N |