N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methyl-4-nitrobenzamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2466 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C18 H16 N4 O4 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1nnc(Cc2ccc(cc2)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1371 |
| logD: | 3.3428 |
| logSw: | -4.4287 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.723 |
| InChI Key: | VAKFMCPLCAVLFF-UHFFFAOYSA-N |