N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | Y030-8858 |
| Compound Name: | N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 435.88 |
| Molecular Formula: | C19 H18 Cl N3 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1nnc(COc2ccc(cc2)[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9231 |
| logD: | 3.8218 |
| logSw: | -4.4971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.575 |
| InChI Key: | XJOXUIRULKIREC-UHFFFAOYSA-N |