N-[5-(2-{2-[(3-nitrophenyl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-N'-phenylurea
Chemical Structure Depiction of
N-[5-(2-{2-[(3-nitrophenyl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-N'-phenylurea
N-[5-(2-{2-[(3-nitrophenyl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-N'-phenylurea
Compound characteristics
| Compound ID: | 1067-0543 |
| Compound Name: | N-[5-(2-{2-[(3-nitrophenyl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-N'-phenylurea |
| Molecular Weight: | 425.42 |
| Molecular Formula: | C18 H15 N7 O4 S |
| Smiles: | C(C(N/N=C\c1cccc(c1)[N+]([O-])=O)=O)c1nnc(NC(Nc2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1989 |
| logD: | 3.1966 |
| logSw: | -3.4657 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.065 |
| InChI Key: | QTXAZZMZFLPUGS-UHFFFAOYSA-N |