rel-(4'aR,8'aS)-2'-(furan-2-yl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline]
Chemical Structure Depiction of
rel-(4'aR,8'aS)-2'-(furan-2-yl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline]
rel-(4'aR,8'aS)-2'-(furan-2-yl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline]
Compound characteristics
Compound ID: | D322-0690 |
Compound Name: | rel-(4'aR,8'aS)-2'-(furan-2-yl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline] |
Molecular Weight: | 312.41 |
Molecular Formula: | C18 H24 N4 O |
Smiles: | C1CCC2(CC1)[C@@H]1CCCC[C@@H]1Nc1nc(c3ccco3)nn12 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 4.2078 |
logD: | 4.2078 |
logSw: | -4.2465 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.485 |
InChI Key: | LISYDVSDBUSCNZ-UONOGXRCSA-N |