1-[rel-(4'aR,8'aS)-2'-(4-methylphenyl)-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-methoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(4'aR,8'aS)-2'-(4-methylphenyl)-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-methoxyethan-1-one
1-[rel-(4'aR,8'aS)-2'-(4-methylphenyl)-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-methoxyethan-1-one
Compound characteristics
| Compound ID: | D322-0098 |
| Compound Name: | 1-[rel-(4'aR,8'aS)-2'-(4-methylphenyl)-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-methoxyethan-1-one |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C24 H32 N4 O2 |
| Smiles: | Cc1ccc(cc1)c1nc2N(C(COC)=O)[C@H]3CCCC[C@H]3C3(CCCCC3)n2n1 |
| Stereo: | RELATIVE |
| logP: | 4.6921 |
| logD: | 4.6921 |
| logSw: | -4.5134 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.784 |
| InChI Key: | CKBRURHQIGQKEK-PMACEKPBSA-N |