5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0749 |
| Compound Name: | 5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C21 H22 N4 O2 S2 |
| Smiles: | CSc1ccc(CNC(CCCc2nnc(C(Nc3ccccc3)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3573 |
| logD: | 3.3573 |
| logSw: | -3.7907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.529 |
| InChI Key: | LPFUJBBASXFPRZ-UHFFFAOYSA-N |