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 |