4-methyl-N-[5-(2-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
4-methyl-N-[5-(2-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzamide
4-methyl-N-[5-(2-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | 1067-0416 |
| Compound Name: | 4-methyl-N-[5-(2-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 468.45 |
| Molecular Formula: | C20 H16 N6 O6 S |
| Smiles: | Cc1ccc(cc1)C(Nc1nnc(CC(N/N=C/c2cc3c(cc2[N+]([O-])=O)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3189 |
| logD: | 2.8701 |
| logSw: | -3.7049 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 132.668 |
| InChI Key: | VWKGYLJPIBDQBP-UHFFFAOYSA-N |