rel-(1R,5S)-3-ethyl-7-[4-(trifluoromethoxy)benzoyl]-3,7,9-triazabicyclo[3.3.2]decan-10-one
Chemical Structure Depiction of
rel-(1R,5S)-3-ethyl-7-[4-(trifluoromethoxy)benzoyl]-3,7,9-triazabicyclo[3.3.2]decan-10-one
rel-(1R,5S)-3-ethyl-7-[4-(trifluoromethoxy)benzoyl]-3,7,9-triazabicyclo[3.3.2]decan-10-one
Compound characteristics
Compound ID: | SD24-0037 |
Compound Name: | rel-(1R,5S)-3-ethyl-7-[4-(trifluoromethoxy)benzoyl]-3,7,9-triazabicyclo[3.3.2]decan-10-one |
Molecular Weight: | 371.36 |
Molecular Formula: | C17 H20 F3 N3 O3 |
Smiles: | [H][C@]12CN(CC)C[C@]([H])(CN(C1)C(c1ccc(cc1)OC(F)(F)F)=O)C(N2)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.6003 |
logD: | -0.8232 |
logSw: | -2.0418 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.085 |
InChI Key: | FCTMXWTWQTWXQB-OLZOCXBDSA-N |