rel-(3aR,7aS)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(oxane-4-carbonyl)-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(oxane-4-carbonyl)-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(oxane-4-carbonyl)-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
Compound ID: | SC54-0475 |
Compound Name: | rel-(3aR,7aS)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(oxane-4-carbonyl)-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
Molecular Weight: | 405.5 |
Molecular Formula: | C20 H31 N5 O4 |
Smiles: | CCCNC(N1C[C@@H]2CN(CC[C@@]2(C1)c1nnc(C)o1)C(C1CCOCC1)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.906 |
logD: | 0.906 |
logSw: | -1.5369 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.53 |
InChI Key: | APLPPDCEGQCCHX-OXJNMPFZSA-N |