N-(3-methylbutyl)-N'-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}urea
Chemical Structure Depiction of
N-(3-methylbutyl)-N'-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}urea
N-(3-methylbutyl)-N'-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}urea
Compound characteristics
| Compound ID: | N118-0114 |
| Compound Name: | N-(3-methylbutyl)-N'-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}urea |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C23 H39 N5 O3 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCC(CC1)NC(NCCC(C)C)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9046 |
| logD: | 1.9046 |
| logSw: | -2.2846 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.52 |
| InChI Key: | XQQOGLXTCJDKKK-NLWGTHIKSA-N |