[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](2-methoxyphenyl)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](2-methoxyphenyl)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](2-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | D322-0576 |
| 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](2-methoxyphenyl)methanone |
| Molecular Weight: | 462.64 |
| Molecular Formula: | C28 H38 N4 O2 |
| Smiles: | COc1ccccc1C(N1c2nc(C3CCCCC3)nn2C2(CCCCC2)[C@@H]2CCCC[C@H]12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1731 |
| logD: | 6.1731 |
| logSw: | -5.2977 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.438 |
| InChI Key: | DGRKWZUZEFIQHZ-GOTSBHOMSA-N |