N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-L-alanine
Chemical Structure Depiction of
N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-L-alanine
N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-L-alanine
Compound characteristics
| Compound ID: | Y043-1537 |
| Compound Name: | N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-L-alanine |
| Molecular Weight: | 279.29 |
| Molecular Formula: | C13 H17 N3 O4 |
| Smiles: | C[C@@H](C(O)=O)NC(CN1C(C=C2CCCCC2=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.7023 |
| logD: | -4.393 |
| logSw: | -0.7463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.547 |
| InChI Key: | JIRMCWVNTJIWOE-QMMMGPOBSA-N |