5-[(3-methylphenoxy)methyl]-N-{4-[(propan-2-yl)carbamoyl]phenyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(3-methylphenoxy)methyl]-N-{4-[(propan-2-yl)carbamoyl]phenyl}-1,3,4-thiadiazole-2-carboxamide
5-[(3-methylphenoxy)methyl]-N-{4-[(propan-2-yl)carbamoyl]phenyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F913-0448 |
| Compound Name: | 5-[(3-methylphenoxy)methyl]-N-{4-[(propan-2-yl)carbamoyl]phenyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | CC(C)NC(c1ccc(cc1)NC(c1nnc(COc2cccc(C)c2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4218 |
| logD: | 3.4151 |
| logSw: | -3.7889 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.216 |
| InChI Key: | HSJQSAWSFSNOIQ-UHFFFAOYSA-N |