N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4,5-dimethoxy-2-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4,5-dimethoxy-2-nitrobenzamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4,5-dimethoxy-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2483 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4,5-dimethoxy-2-nitrobenzamide |
| Molecular Weight: | 434.86 |
| Molecular Formula: | C18 H15 Cl N4 O5 S |
| Smiles: | COc1cc(C(Nc2nnc(Cc3ccc(cc3)[Cl])s2)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8519 |
| logD: | 2.2929 |
| logSw: | -4.4228 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.44 |
| InChI Key: | LGSQXJJCXNNEGG-UHFFFAOYSA-N |