N-{3-[(butan-2-yl)carbamoyl]phenyl}-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-{3-[(butan-2-yl)carbamoyl]phenyl}-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-{3-[(butan-2-yl)carbamoyl]phenyl}-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0009 |
| Compound Name: | N-{3-[(butan-2-yl)carbamoyl]phenyl}-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C21 H21 Cl N4 O3 S |
| Smiles: | CCC(C)NC(c1cccc(c1)NC(c1nnc(COc2ccc(cc2)[Cl])s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9518 |
| logD: | 3.9517 |
| logSw: | -4.3873 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.683 |
| InChI Key: | RECUCILDAFXBLW-ZDUSSCGKSA-N |