N-[5-(2-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
Chemical Structure Depiction of
N-[5-(2-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
N-[5-(2-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
Compound characteristics
| Compound ID: | 1067-0411 |
| Compound Name: | N-[5-(2-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide |
| Molecular Weight: | 502.34 |
| Molecular Formula: | C20 H16 Br N5 O4 S |
| Smiles: | Cc1ccc(cc1)C(Nc1nnc(CC(N/N=C/c2cc3c(cc2[Br])OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.008 |
| logD: | 3.5591 |
| logSw: | -4.1518 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.588 |
| InChI Key: | DUIGXPFTRVMZRT-UHFFFAOYSA-N |