2-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]hydrazine-1-carbothioamide
2-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8019-6885 |
| Compound Name: | 2-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]hydrazine-1-carbothioamide |
| Molecular Weight: | 460.48 |
| Molecular Formula: | C21 H21 F N4 O5 S |
| Smiles: | COc1c(CC2CC(c3ccc(cc3)F)=NO2)c(\C=N/NC(N)=S)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3161 |
| logD: | 4.3161 |
| logSw: | -4.4841 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.529 |
| InChI Key: | FOWSICONJXYFMD-ZDUSSCGKSA-N |