5-[(4-chlorophenoxy)methyl]-N-{4-[(3-methylbutyl)carbamoyl]phenyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(4-chlorophenoxy)methyl]-N-{4-[(3-methylbutyl)carbamoyl]phenyl}-1,3,4-thiadiazole-2-carboxamide
5-[(4-chlorophenoxy)methyl]-N-{4-[(3-methylbutyl)carbamoyl]phenyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F913-0050 |
| Compound Name: | 5-[(4-chlorophenoxy)methyl]-N-{4-[(3-methylbutyl)carbamoyl]phenyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 458.97 |
| Molecular Formula: | C22 H23 Cl N4 O3 S |
| Smiles: | CC(C)CCNC(c1ccc(cc1)NC(c1nnc(COc2ccc(cc2)[Cl])s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3977 |
| logD: | 4.3909 |
| logSw: | -4.5027 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.083 |
| InChI Key: | HBTUCJWKKNECJI-UHFFFAOYSA-N |