4-acetamido-N-{5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
4-acetamido-N-{5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
4-acetamido-N-{5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
Compound ID: | Y031-3147 |
Compound Name: | 4-acetamido-N-{5-[(3-phenylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide |
Molecular Weight: | 412.53 |
Molecular Formula: | C20 H20 N4 O2 S2 |
Smiles: | CC(Nc1ccc(cc1)C(Nc1nnc(SCCCc2ccccc2)s1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7209 |
logD: | 4.6023 |
logSw: | -4.4835 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.226 |
InChI Key: | DUDUGKUCQOCDIN-UHFFFAOYSA-N |