1-(4-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
Chemical Structure Depiction of
1-(4-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
1-(4-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S687-2282 |
| Compound Name: | 1-(4-{[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C25 H33 N7 O3 |
| Smiles: | Cc1c(CCC(N2CCC3(CC2)CC(CCO3)Cc2nc(c3cnccn3)no2)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3325 |
| logD: | 1.3323 |
| logSw: | -1.4933 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.438 |
| InChI Key: | ONWVBYGBSOIGHK-IBGZPJMESA-N |