[rel-(4'aR,8'aS)-2'-(pyridin-3-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](thiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(4'aR,8'aS)-2'-(pyridin-3-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](thiophen-2-yl)methanone
[rel-(4'aR,8'aS)-2'-(pyridin-3-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](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | D322-0678 |
| Compound Name: | [rel-(4'aR,8'aS)-2'-(pyridin-3-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](thiophen-2-yl)methanone |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C24 H27 N5 O S |
| Smiles: | C1CCC2(CC1)[C@@H]1CCCC[C@@H]1N(C(c1cccs1)=O)c1nc(c3cccnc3)nn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5602 |
| logD: | 3.6888 |
| logSw: | -4.3726 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.152 |
| InChI Key: | IWDYKKRCOIMYPR-OALUTQOASA-N |