N-(2-methylphenyl)-5-(4-{[(3-methylphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-(4-{[(3-methylphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-(4-{[(3-methylphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0860 |
| Compound Name: | N-(2-methylphenyl)-5-(4-{[(3-methylphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | Cc1cccc(CNC(CCCc2nnc(C(Nc3ccccc3C)=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5113 |
| logD: | 3.5112 |
| logSw: | -3.743 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.831 |
| InChI Key: | MJTGEPJUAXUMEF-UHFFFAOYSA-N |