[rel-(4'aR,8'aS)-4'-(furan-2-carbonyl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-2'-yl](morpholin-4-yl)methanone
Chemical Structure Depiction of
[rel-(4'aR,8'aS)-4'-(furan-2-carbonyl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-2'-yl](morpholin-4-yl)methanone
[rel-(4'aR,8'aS)-4'-(furan-2-carbonyl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-2'-yl](morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | D322-0769 |
| Compound Name: | [rel-(4'aR,8'aS)-4'-(furan-2-carbonyl)-4'a,5',6',7',8',8'a-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-2'-yl](morpholin-4-yl)methanone |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C24 H31 N5 O4 |
| Smiles: | C1CCC2(CC1)[C@@H]1CCCC[C@@H]1N(C(c1ccco1)=O)c1nc(C(N3CCOCC3)=O)nn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6929 |
| logD: | 2.6929 |
| logSw: | -2.9723 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.023 |
| InChI Key: | KPGDCJBRGZSSCP-ZWKOTPCHSA-N |