1-[rel-(4'aR,8'aS)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-4'-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(4'aR,8'aS)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-4'-yl]-2-methylpropan-1-one
1-[rel-(4'aR,8'aS)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-4'-yl]-2-methylpropan-1-one
Compound characteristics
Compound ID: | D322-0004 |
Compound Name: | 1-[rel-(4'aR,8'aS)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-4'-yl]-2-methylpropan-1-one |
Molecular Weight: | 316.45 |
Molecular Formula: | C18 H28 N4 O |
Smiles: | CC(C)C(N1c2ncnn2C2(CCCCC2)[C@@H]2CCCC[C@H]12)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.3803 |
logD: | 3.3803 |
logSw: | -3.5349 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 39.1 |
InChI Key: | MGFXWSRUBDBQNM-GJZGRUSLSA-N |