[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](furan-2-yl)methanone
Chemical Structure Depiction of
[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](furan-2-yl)methanone
[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](furan-2-yl)methanone
Compound characteristics
| Compound ID: | D322-0127 |
| Compound Name: | [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](furan-2-yl)methanone |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C26 H30 N4 O2 |
| Smiles: | Cc1ccc(cc1)c1nc2N(C(c3ccco3)=O)[C@H]3CCCC[C@H]3C3(CCCCC3)n2n1 |
| Stereo: | RELATIVE |
| logP: | 5.7367 |
| logD: | 5.7367 |
| logSw: | -5.2767 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.194 |
| InChI Key: | PGGFWCCJOOMRJS-SFTDATJTSA-N |