N-(2-methylphenyl)-5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0929 |
| Compound Name: | N-(2-methylphenyl)-5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 398.49 |
| Molecular Formula: | C19 H22 N6 O2 S |
| Smiles: | Cc1ccccc1NC(c1nnc(CCCC(NCc2c[nH]nc2C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6598 |
| logD: | 1.6597 |
| logSw: | -2.3587 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.099 |
| InChI Key: | MYAXTJZNNUMOCG-UHFFFAOYSA-N |