methyl N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)alaninate
Chemical Structure Depiction of
methyl N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)alaninate
methyl N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)alaninate
Compound characteristics
| Compound ID: | 8018-0966 |
| Compound Name: | methyl N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)alaninate |
| Molecular Weight: | 335.42 |
| Molecular Formula: | C16 H21 N3 O3 S |
| Smiles: | CC(C(=O)OC)NC(N1C[C@@H]2C[C@@H](C1)CN1C2=CC=CC1=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8717 |
| logD: | 1.8717 |
| logSw: | -2.2211 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.766 |
| InChI Key: | ZWQKNNFOAUQNLS-SAIIYOCFSA-N |