2-ethyl-1-{rel-(4R,5R)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl}butan-1-one
Chemical Structure Depiction of
2-ethyl-1-{rel-(4R,5R)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl}butan-1-one
2-ethyl-1-{rel-(4R,5R)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl}butan-1-one
Compound characteristics
| Compound ID: | SC85-0587 |
| Compound Name: | 2-ethyl-1-{rel-(4R,5R)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl}butan-1-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C22 H29 F N4 O2 |
| Smiles: | CCC(CC)C(N1C[C@@H](c2nc(c3ccc(cc3)F)no2)[C@]2(CCN(C)C2)C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1481 |
| logD: | 0.7685 |
| logSw: | -4.0588 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.493 |
| InChI Key: | QRLPQXAYLWEXIL-AVRDEDQJSA-N |