[rel-(4'aR,8'aS)-2'-cyclohexyl-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-fluorophenyl)methanone
Chemical Structure Depiction of
[rel-(4'aR,8'aS)-2'-cyclohexyl-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-fluorophenyl)methanone
[rel-(4'aR,8'aS)-2'-cyclohexyl-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-fluorophenyl)methanone
Compound characteristics
| Compound ID: | D322-0567 |
| Compound Name: | [rel-(4'aR,8'aS)-2'-cyclohexyl-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-fluorophenyl)methanone |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C27 H35 F N4 O |
| Smiles: | C1CCC(CC1)c1nc2N(C(c3ccc(cc3)F)=O)[C@H]3CCCC[C@H]3C3(CCCCC3)n2n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.2347 |
| logD: | 6.2347 |
| logSw: | -5.7964 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.808 |
| InChI Key: | ZKAMVAQJRIPTFY-GOTSBHOMSA-N |