N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methyl-4-nitrobenzamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2464 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 388.83 |
| Molecular Formula: | C17 H13 Cl N4 O3 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1nnc(Cc2ccc(cc2)[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7495 |
| logD: | 3.9551 |
| logSw: | -4.9375 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.179 |
| InChI Key: | KQVBANFEISFEJB-UHFFFAOYSA-N |