N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]isoleucine
Chemical Structure Depiction of
N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]isoleucine
N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]isoleucine
Compound characteristics
| Compound ID: | Y043-1538 |
| Compound Name: | N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]isoleucine |
| Molecular Weight: | 321.37 |
| Molecular Formula: | C16 H23 N3 O4 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(CN1C(C=C2CCCCC2=N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0748 |
| logD: | -3.704 |
| logSw: | -0.8788 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.736 |
| InChI Key: | MFIRDZWODIBWLA-BMIGLBTASA-N |