N-(2-methylphenyl)-5-(4-{[(2-methylphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-(4-{[(2-methylphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-(4-{[(2-methylphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0955 |
| Compound Name: | N-(2-methylphenyl)-5-(4-{[(2-methylphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | Cc1ccccc1CNC(CCCc1nnc(C(Nc2ccccc2C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7107 |
| logD: | 3.7106 |
| logSw: | -3.8319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.831 |
| InChI Key: | KQRAOEWXYQHJGI-UHFFFAOYSA-N |