[rel-(4'aR,8'aS)-2'-(furan-2-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-tert-butylphenyl)methanone
Chemical Structure Depiction of
[rel-(4'aR,8'aS)-2'-(furan-2-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-tert-butylphenyl)methanone
[rel-(4'aR,8'aS)-2'-(furan-2-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-tert-butylphenyl)methanone
Compound characteristics
| Compound ID: | D322-0721 |
| Compound Name: | [rel-(4'aR,8'aS)-2'-(furan-2-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-tert-butylphenyl)methanone |
| Molecular Weight: | 472.63 |
| Molecular Formula: | C29 H36 N4 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1c2nc(c3ccco3)nn2C2(CCCCC2)[C@@H]2CCCC[C@H]12)=O |
| Stereo: | RELATIVE |
| logP: | 6.7877 |
| logD: | 6.7877 |
| logSw: | -5.5211 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.194 |
| InChI Key: | IOPOTAIYJHBMNH-GOTSBHOMSA-N |