N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)-L-phenylalanine
Chemical Structure Depiction of
N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)-L-phenylalanine
N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)-L-phenylalanine
Compound characteristics
| Compound ID: | Y042-7847 |
| Compound Name: | N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)-L-phenylalanine |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C21 H23 N3 O4 |
| Smiles: | C(c1ccccc1)[C@@H](C(O)=O)NC(N1C[C@@H]2C[C@@H](C1)CN1C2=CC=CC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5978 |
| logD: | -1.6459 |
| logSw: | -1.6197 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.767 |
| InChI Key: | IZAYJNCKDMBXTP-IKGGRYGDSA-N |