N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxy-3-nitrobenzamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2459 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 404.83 |
| Molecular Formula: | C17 H13 Cl N4 O4 S |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1nnc(Cc2ccc(cc2)[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8298 |
| logD: | 2.9286 |
| logSw: | -4.549 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.809 |
| InChI Key: | WGLRAARTTURUOV-UHFFFAOYSA-N |