N-[3-(butylcarbamoyl)phenyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-[3-(butylcarbamoyl)phenyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-[3-(butylcarbamoyl)phenyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0087 |
| Compound Name: | N-[3-(butylcarbamoyl)phenyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C21 H21 Cl N4 O3 S |
| Smiles: | CCCCNC(c1cccc(c1)NC(c1nnc(COc2ccc(cc2)[Cl])s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4845 |
| logD: | 4.4844 |
| logSw: | -4.6033 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.083 |
| InChI Key: | WJOKOPNISLAINY-UHFFFAOYSA-N |