methyl N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)-L-valinate
Chemical Structure Depiction of
methyl N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)-L-valinate
methyl N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)-L-valinate
Compound characteristics
| Compound ID: | Y042-7851 |
| Compound Name: | methyl N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)-L-valinate |
| Molecular Weight: | 347.41 |
| Molecular Formula: | C18 H25 N3 O4 |
| Smiles: | CC(C)[C@@H](C(=O)OC)NC(N1C[C@H]2C[C@@H](C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3523 |
| logD: | 2.3523 |
| logSw: | -2.2253 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.526 |
| InChI Key: | NUQPTKQWLJVZRL-XEZPLFJOSA-N |