N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide
Compound characteristics
| Compound ID: | Y030-9852 |
| Compound Name: | N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C21 H21 Cl N4 O3 S |
| Smiles: | CCCCC(Nc1ccc(cc1)C(Nc1nnc(COc2ccc(cc2)[Cl])s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6619 |
| logD: | 3.4927 |
| logSw: | -4.7459 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.747 |
| InChI Key: | PAVPQKXLDLVFEQ-UHFFFAOYSA-N |