N-[5-(2-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-N'-phenylurea
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]-N'-phenylurea
N-[5-(2-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-N'-phenylurea
Compound characteristics
| Compound ID: | 1067-0551 |
| Compound Name: | N-[5-(2-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-N'-phenylurea |
| Molecular Weight: | 503.33 |
| Molecular Formula: | C19 H15 Br N6 O4 S |
| Smiles: | C(C(N/N=C/c1cc2c(cc1[Br])OCO2)=O)c1nnc(NC(Nc2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8804 |
| logD: | 3.8781 |
| logSw: | -4.1135 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.799 |
| InChI Key: | XNIHXSDNPKGMHT-UHFFFAOYSA-N |