N-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-N'-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}urea
N-[(4-methylphenyl)methyl]-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: | N118-0110 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N'-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}urea |
| Molecular Weight: | 467.61 |
| Molecular Formula: | C26 H37 N5 O3 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCC(CC1)NC(NCc1ccc(C)cc1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0596 |
| logD: | 2.0596 |
| logSw: | -2.5601 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.406 |
| InChI Key: | LGHRSXIFWBHPOV-QZNHQXDQSA-N |