5-[4-({[4-(dimethylamino)phenyl]methyl}amino)-4-oxobutyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[4-({[4-(dimethylamino)phenyl]methyl}amino)-4-oxobutyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[4-({[4-(dimethylamino)phenyl]methyl}amino)-4-oxobutyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0166 |
| Compound Name: | 5-[4-({[4-(dimethylamino)phenyl]methyl}amino)-4-oxobutyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | CN(C)c1ccc(CNC(CCCc2nnc(C(Nc3ccc(cc3)OC)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9021 |
| logD: | 2.8866 |
| logSw: | -3.7092 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.877 |
| InChI Key: | JDAIVJXDNJJUOR-UHFFFAOYSA-N |