[rel-(4'aR,8'aS)-2'-(4-methoxyphenyl)-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](2-methoxyphenyl)methanone
Chemical Structure Depiction of
[rel-(4'aR,8'aS)-2'-(4-methoxyphenyl)-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](2-methoxyphenyl)methanone
[rel-(4'aR,8'aS)-2'-(4-methoxyphenyl)-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](2-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | D322-0208 |
| Compound Name: | [rel-(4'aR,8'aS)-2'-(4-methoxyphenyl)-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](2-methoxyphenyl)methanone |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C29 H34 N4 O3 |
| Smiles: | COc1ccc(cc1)c1nc2N(C(c3ccccc3OC)=O)[C@H]3CCCC[C@H]3C3(CCCCC3)n2n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.9937 |
| logD: | 5.9937 |
| logSw: | -5.25 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.79 |
| InChI Key: | FVJCJBSFVKFXDJ-ZEQRLZLVSA-N |