[rel-(4'aR,8'aS)-2'-(pyridin-3-yl)-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](4-chlorophenyl)methanone
Chemical Structure Depiction of
[rel-(4'aR,8'aS)-2'-(pyridin-3-yl)-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](4-chlorophenyl)methanone
[rel-(4'aR,8'aS)-2'-(pyridin-3-yl)-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](4-chlorophenyl)methanone
Compound characteristics
| Compound ID: | D322-0660 |
| Compound Name: | [rel-(4'aR,8'aS)-2'-(pyridin-3-yl)-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](4-chlorophenyl)methanone |
| Molecular Weight: | 461.99 |
| Molecular Formula: | C26 H28 Cl N5 O |
| Smiles: | C1CCC2(CC1)[C@@H]1CCCC[C@@H]1N(C(c1ccc(cc1)[Cl])=O)c1nc(c3cccnc3)nn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.1579 |
| logD: | 4.2866 |
| logSw: | -5.8021 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.134 |
| InChI Key: | VSWUUTSBKBSONO-VXKWHMMOSA-N |