9-(2,5-dimethoxybenzene-1-sulfonyl)-4-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane
Chemical Structure Depiction of
9-(2,5-dimethoxybenzene-1-sulfonyl)-4-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane
9-(2,5-dimethoxybenzene-1-sulfonyl)-4-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane
Compound characteristics
| Compound ID: | S687-2155 |
| Compound Name: | 9-(2,5-dimethoxybenzene-1-sulfonyl)-4-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C25 H30 N4 O6 S |
| Smiles: | COc1ccc(c(c1)S(N1CCC2(CC1)CC(CCO2)Cc1nc(c2cccnc2)no1)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4522 |
| logD: | 2.8135 |
| logSw: | -3.5682 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.315 |
| InChI Key: | BDUQHSXPULQOLP-SFHVURJKSA-N |