rel-(4R,5R)-7-methyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(propane-2-sulfonyl)-2,7-diazaspiro[4.4]nonane
Chemical Structure Depiction of
rel-(4R,5R)-7-methyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(propane-2-sulfonyl)-2,7-diazaspiro[4.4]nonane
rel-(4R,5R)-7-methyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(propane-2-sulfonyl)-2,7-diazaspiro[4.4]nonane
Compound characteristics
| Compound ID: | SC85-0048 |
| Compound Name: | rel-(4R,5R)-7-methyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(propane-2-sulfonyl)-2,7-diazaspiro[4.4]nonane |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CC(C)S(N1C[C@@H](c2nc(c3cccc(C)c3)no2)[C@]2(CCN(C)C2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3901 |
| logD: | 0.3217 |
| logSw: | -3.7121 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.556 |
| InChI Key: | UAGDZVLSCDTZCA-XLIONFOSSA-N |