N-(2-methylphenyl)-5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0947 |
| Compound Name: | N-(2-methylphenyl)-5-[4-({[4-(methylsulfanyl)phenyl]methyl}amino)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C22 H24 N4 O2 S2 |
| Smiles: | Cc1ccccc1NC(c1nnc(CCCC(NCc2ccc(cc2)SC)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5421 |
| logD: | 3.542 |
| logSw: | -3.7879 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.831 |
| InChI Key: | QMPQLLDCDPWRAX-UHFFFAOYSA-N |