N-(3-methylbutyl)-4-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-4-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperazine-1-carboxamide
N-(3-methylbutyl)-4-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | N119-0118 |
| Compound Name: | N-(3-methylbutyl)-4-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperazine-1-carboxamide |
| Molecular Weight: | 419.57 |
| Molecular Formula: | C22 H37 N5 O3 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCN(CC1)C(NCCC(C)C)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9908 |
| logD: | 1.9908 |
| logSw: | -2.3149 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.638 |
| InChI Key: | VCDKKFCVKFLIGR-IPMKNSEASA-N |