[rel-(4'aR,8'aS)-4'-(cyclohexanecarbonyl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-2'-yl](morpholin-4-yl)methanone
Chemical Structure Depiction of
[rel-(4'aR,8'aS)-4'-(cyclohexanecarbonyl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-2'-yl](morpholin-4-yl)methanone
[rel-(4'aR,8'aS)-4'-(cyclohexanecarbonyl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-2'-yl](morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | D322-0775 |
| Compound Name: | [rel-(4'aR,8'aS)-4'-(cyclohexanecarbonyl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-2'-yl](morpholin-4-yl)methanone |
| Molecular Weight: | 469.63 |
| Molecular Formula: | C26 H39 N5 O3 |
| Smiles: | C1CCC(CC1)C(N1c2nc(C(N3CCOCC3)=O)nn2C2(CCCCC2)[C@@H]2CCCC[C@H]12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8674 |
| logD: | 3.8674 |
| logSw: | -3.966 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.637 |
| InChI Key: | RYYFKZBSUPPGNT-LEWJYISDSA-N |