2-chloro-N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
2-chloro-N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3371 |
| Compound Name: | 2-chloro-N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide |
| Molecular Weight: | 425.25 |
| Molecular Formula: | C16 H10 Cl2 N4 O4 S |
| Smiles: | C(c1nnc(NC(c2ccc(cc2[Cl])[N+]([O-])=O)=O)s1)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6182 |
| logD: | 2.5647 |
| logSw: | -5.001 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.979 |
| InChI Key: | WBYNKDJMHUVBHG-UHFFFAOYSA-N |