2-chloro-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
2-chloro-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2438 |
| Compound Name: | 2-chloro-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide |
| Molecular Weight: | 404.83 |
| Molecular Formula: | C17 H13 Cl N4 O4 S |
| Smiles: | COc1ccc(Cc2nnc(NC(c3ccc(cc3[Cl])[N+]([O-])=O)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1948 |
| logD: | 3.0433 |
| logSw: | -4.7066 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.024 |
| InChI Key: | LFCOBSXYYWDBOY-UHFFFAOYSA-N |