5-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxole-4-carbaldehyde
Chemical Structure Depiction of
5-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxole-4-carbaldehyde
5-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxole-4-carbaldehyde
Compound characteristics
| Compound ID: | 8019-6596 |
| Compound Name: | 5-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxole-4-carbaldehyde |
| Molecular Weight: | 387.36 |
| Molecular Formula: | C20 H18 F N O6 |
| Smiles: | COc1c(CC2CC(c3ccc(cc3)F)=NO2)c(C=O)c2c(c1OC)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6945 |
| logD: | 3.6945 |
| logSw: | -4.0257 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.88 |
| InChI Key: | SPTMGMQKVKGPLU-CYBMUJFWSA-N |