N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methyl-2-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methyl-2-nitrobenzamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methyl-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3269 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methyl-2-nitrobenzamide |
| Molecular Weight: | 388.83 |
| Molecular Formula: | C17 H13 Cl N4 O3 S |
| Smiles: | Cc1cccc(C(Nc2nnc(Cc3ccc(cc3)[Cl])s2)=O)c1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.667 |
| logD: | 1.6699 |
| logSw: | -4.9694 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.878 |
| InChI Key: | MZVNVINRGIVWHE-UHFFFAOYSA-N |