2-{4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-ylidene}hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-{4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-ylidene}hydrazine-1-carbothioamide
2-{4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-ylidene}hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 5008-0280 |
| Compound Name: | 2-{4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-ylidene}hydrazine-1-carbothioamide |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C18 H18 N4 O4 S |
| Smiles: | C\C(CCc1c(c2cc(ccc2o1)[N+]([O-])=O)c1ccc(C)o1)=N/NC(N)=S |
| Stereo: | ACHIRAL |
| logP: | 4.0596 |
| logD: | 4.0596 |
| logSw: | -4.4954 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.314 |
| InChI Key: | RCABBQMIMBEIDF-UHFFFAOYSA-N |