3,5-dimethoxy-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)benzamide
Chemical Structure Depiction of
3,5-dimethoxy-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)benzamide
3,5-dimethoxy-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)benzamide
Compound characteristics
| Compound ID: | 8016-8105 |
| Compound Name: | 3,5-dimethoxy-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)benzamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | COc1cc(cc(c1)OC)C(NC(N1C[C@@H]2C[C@@H](C1)CN1C2=CC=CC1=O)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.024 |
| logD: | 3.024 |
| logSw: | -3.4296 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.102 |
| InChI Key: | UBZYZLLHTDJVEC-HIFRSBDPSA-N |