rel-(4'aR,8'aS)-2'-(4-chlorophenyl)-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'-(4-chlorophenyl)-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'-(4-chlorophenyl)-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: | D322-0140 |
| Compound Name: | rel-(4'aR,8'aS)-2'-(4-chlorophenyl)-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: | 356.9 |
| Molecular Formula: | C20 H25 Cl N4 |
| Smiles: | C1CCC2(CC1)[C@@H]1CCCC[C@@H]1Nc1nc(c3ccc(cc3)[Cl])nn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.853 |
| logD: | 5.853 |
| logSw: | -6.3883 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.907 |
| InChI Key: | BGLHBBPBKRYFCK-DLBZAZTESA-N |