N~2~-[(4-butoxyphenyl)methyl]-N~5~-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
Chemical Structure Depiction of
N~2~-[(4-butoxyphenyl)methyl]-N~5~-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
N~2~-[(4-butoxyphenyl)methyl]-N~5~-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
Compound characteristics
| Compound ID: | G675-1268 |
| Compound Name: | N~2~-[(4-butoxyphenyl)methyl]-N~5~-(3-chlorophenyl)-1,3,4-thiadiazole-2,5-dicarboxamide |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C21 H21 Cl N4 O3 S |
| Smiles: | CCCCOc1ccc(CNC(c2nnc(C(Nc3cccc(c3)[Cl])=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8674 |
| logD: | 4.8144 |
| logSw: | -4.7206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.665 |
| InChI Key: | LVDLLZVHDCMJKG-UHFFFAOYSA-N |