5-[(3-methylphenoxy)methyl]-N-(3-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(3-methylphenoxy)methyl]-N-(3-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(3-methylphenoxy)methyl]-N-(3-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0480 |
| Compound Name: | 5-[(3-methylphenoxy)methyl]-N-(3-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C23 H22 N6 O3 S |
| Smiles: | Cc1cccc(c1)OCc1nnc(C(Nc2cccc(c2)C(NCc2c[nH]nc2C)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4055 |
| logD: | 3.4054 |
| logSw: | -3.6864 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.238 |
| InChI Key: | PYXCZRZAJBDZAU-UHFFFAOYSA-N |