5-methyl-N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}thiophene-2-carboxamide
Chemical Structure Depiction of
5-methyl-N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}thiophene-2-carboxamide
5-methyl-N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | N118-0017 |
| Compound Name: | 5-methyl-N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}thiophene-2-carboxamide |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C23 H32 N4 O3 S |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCC(CC1)NC(c1ccc(C)s1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5536 |
| logD: | 2.5536 |
| logSw: | -2.7144 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.891 |
| InChI Key: | CWRAVDTVDVWXCK-ZHALLVOQSA-N |