methyl N-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]-L-alaninate
Chemical Structure Depiction of
methyl N-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]-L-alaninate
methyl N-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]-L-alaninate
Compound characteristics
| Compound ID: | Y042-8085 |
| Compound Name: | methyl N-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]-L-alaninate |
| Molecular Weight: | 319.36 |
| Molecular Formula: | C16 H21 N3 O4 |
| Smiles: | C[C@@H](C(=O)OC)NC(N1C[C@H]2C[C@@H](C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4572 |
| logD: | 1.4572 |
| logSw: | -1.4413 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.337 |
| InChI Key: | VFSGAXLCYJEFEL-SRVKXCTJSA-N |