methyl N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-L-phenylalaninate
Chemical Structure Depiction of
methyl N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-L-phenylalaninate
methyl N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-L-phenylalaninate
Compound characteristics
| Compound ID: | Y043-5059 |
| Compound Name: | methyl N-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetyl]-L-phenylalaninate |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C20 H23 N3 O4 |
| Smiles: | COC([C@H](Cc1ccccc1)NC(CN1C(C=C2CCCCC2=N1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5007 |
| logD: | 1.5007 |
| logSw: | -2.0505 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.509 |
| InChI Key: | SXSBGSSBBYVHSL-KRWDZBQOSA-N |