(11aR)-3-[3-(trifluoromethoxy)benzoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-[3-(trifluoromethoxy)benzoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-[3-(trifluoromethoxy)benzoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N107-0065 |
| Compound Name: | (11aR)-3-[3-(trifluoromethoxy)benzoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 382.38 |
| Molecular Formula: | C19 H21 F3 N2 O3 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(c1cccc(c1)OC(F)(F)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7747 |
| logD: | 2.7747 |
| logSw: | -3.1651 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.057 |
| InChI Key: | MBHQHJOTJCONLN-JGGQBBKZSA-N |