N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | 3202-0004 |
| Compound Name: | N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C20 H21 N3 O4 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1nnc(CSCc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9955 |
| logD: | 3.9377 |
| logSw: | -4.2254 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.076 |
| InChI Key: | YYBWWLARDOFBSQ-UHFFFAOYSA-N |