N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-propanamidobenzamide
Chemical Structure Depiction of
N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-propanamidobenzamide
N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-propanamidobenzamide
Compound characteristics
Compound ID: | Y031-3484 |
Compound Name: | N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-propanamidobenzamide |
Molecular Weight: | 398.5 |
Molecular Formula: | C19 H18 N4 O2 S2 |
Smiles: | CCC(Nc1ccc(cc1)C(Nc1nnc(CSc2ccccc2)s1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7199 |
logD: | 2.5507 |
logSw: | -4.0155 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.248 |
InChI Key: | VGSDNUYEECDXJS-UHFFFAOYSA-N |