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 | 
 
				 
				