N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-(2-ethylbutanamido)benzamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-(2-ethylbutanamido)benzamide
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-(2-ethylbutanamido)benzamide
Compound characteristics
| Compound ID: | Y031-2376 |
| Compound Name: | N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-4-(2-ethylbutanamido)benzamide |
| Molecular Weight: | 458.97 |
| Molecular Formula: | C22 H23 Cl N4 O3 S |
| Smiles: | CCC(CC)C(Nc1ccc(cc1)C(Nc1nnc(COc2ccc(cc2)[Cl])s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9618 |
| logD: | 3.7926 |
| logSw: | -5.0078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.96 |
| InChI Key: | QKOWZIQHHGAVNX-UHFFFAOYSA-N |