rel-(4'aR,8'aS)-2'-(2-methylphenyl)-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'-(2-methylphenyl)-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'-(2-methylphenyl)-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: | D322-0230 |
| Compound Name: | rel-(4'aR,8'aS)-2'-(2-methylphenyl)-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: | 336.48 |
| Molecular Formula: | C21 H28 N4 |
| Smiles: | Cc1ccccc1c1nc2N[C@H]3CCCC[C@H]3C3(CCCCC3)n2n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3417 |
| logD: | 5.3417 |
| logSw: | -5.3085 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.907 |
| InChI Key: | XRMWDQRCUROGKF-ZWKOTPCHSA-N |