N-[5-(2-{2-[(6-nitro-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-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-N'-phenylurea
N-[5-(2-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-N'-phenylurea
Compound characteristics
| Compound ID: | 1067-0556 |
| Compound Name: | N-[5-(2-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-N'-phenylurea |
| Molecular Weight: | 469.43 |
| Molecular Formula: | C19 H15 N7 O6 S |
| Smiles: | C(C(N/N=C/c1cc2c(cc1[N+]([O-])=O)OCO2)=O)c1nnc(NC(Nc2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1914 |
| logD: | 3.189 |
| logSw: | -3.5933 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 141.88 |
| InChI Key: | MYUPPARVIVGUFD-UHFFFAOYSA-N |