4-nitro-N-[5-(2-{2-[(3-nitrophenyl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
4-nitro-N-[5-(2-{2-[(3-nitrophenyl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzamide
4-nitro-N-[5-(2-{2-[(3-nitrophenyl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | 1067-0704 |
| Compound Name: | 4-nitro-N-[5-(2-{2-[(3-nitrophenyl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 455.41 |
| Molecular Formula: | C18 H13 N7 O6 S |
| Smiles: | C(C(N/N=C/c1cccc(c1)[N+]([O-])=O)=O)c1nnc(NC(c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8288 |
| logD: | 2.3328 |
| logSw: | -3.4454 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 149.235 |
| InChI Key: | GUHAWHQFUYYEIK-UHFFFAOYSA-N |