2-[(5-{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxol-4-yl)methylidene]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[(5-{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxol-4-yl)methylidene]hydrazine-1-carbothioamide
2-[(5-{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxol-4-yl)methylidene]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8019-7302 |
| Compound Name: | 2-[(5-{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxol-4-yl)methylidene]hydrazine-1-carbothioamide |
| Molecular Weight: | 476.94 |
| Molecular Formula: | C21 H21 Cl N4 O5 S |
| Smiles: | COc1c(CC2CC(c3ccc(cc3)[Cl])=NO2)c(/C=N/NC(N)=S)c2c(c1OC)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8976 |
| logD: | 4.8976 |
| logSw: | -5.0029 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.529 |
| InChI Key: | VZSDZIQHJHBZLJ-CYBMUJFWSA-N |