[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](cyclopropyl)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](cyclopropyl)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](cyclopropyl)methanone
Compound characteristics
| Compound ID: | D322-0682 |
| 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](cyclopropyl)methanone |
| Molecular Weight: | 391.52 |
| Molecular Formula: | C23 H29 N5 O |
| Smiles: | C1CCC2(CC1)[C@@H]1CCCC[C@@H]1N(C(C1CC1)=O)c1nc(c3cccnc3)nn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8446 |
| logD: | 2.9732 |
| logSw: | -4.0252 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.657 |
| InChI Key: | CRHIDGOVZGVCMO-OALUTQOASA-N |