3-[(2S)-2-amino-4-methylpentanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-[(2S)-2-amino-4-methylpentanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one--hydrogen chloride (1/1)
3-[(2S)-2-amino-4-methylpentanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y044-0450 |
| Compound Name: | 3-[(2S)-2-amino-4-methylpentanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one--hydrogen chloride (1/1) |
| Molecular Weight: | 339.86 |
| Molecular Formula: | C17 H25 N3 O2 |
| Salt: | HCl |
| Smiles: | CC(C)C[C@@H](C(N1C[C@@H]2C[C@H](C1)CN1C2=CC=CC1=O)=O)N |
| Stereo: | ABSOLUTE |
| logP: | 0.4186 |
| logD: | -0.9214 |
| logSw: | -0.4616 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.646 |
| InChI Key: | LLGXVYIDBJEJNB-RDBSUJKOSA-N |