N-(3-chlorophenyl)-5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0550 |
| Compound Name: | N-(3-chlorophenyl)-5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 461 |
| Molecular Formula: | C21 H21 Cl N4 O2 S2 |
| Smiles: | CSc1ccc(CNC(CCCc2nnc(C(Nc3cccc(c3)[Cl])=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3026 |
| logD: | 4.2993 |
| logSw: | -4.4723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.529 |
| InChI Key: | CFIKXLCENZJOSR-UHFFFAOYSA-N |