N-(3-fluorophenyl)-5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-fluorophenyl)-5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-1134 |
| Compound Name: | N-(3-fluorophenyl)-5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C21 H21 F N4 O2 S2 |
| Smiles: | CSc1ccc(CNC(CCCc2nnc(C(Nc3cccc(c3)F)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7024 |
| logD: | 3.6992 |
| logSw: | -3.9741 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.529 |
| InChI Key: | CRZJHDDRVBEQMG-UHFFFAOYSA-N |