3-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 4-methylbenzoate
Chemical Structure Depiction of
3-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 4-methylbenzoate
3-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 4-methylbenzoate
Compound characteristics
Compound ID: | D336-7694 |
Compound Name: | 3-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 4-methylbenzoate |
Molecular Weight: | 397.45 |
Molecular Formula: | C20 H19 N3 O4 S |
Smiles: | CC(NC1=NN(C(c2cccc(c2)OC(c2ccc(C)cc2)=O)S1)C(C)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.2069 |
logD: | 3.1605 |
logSw: | -3.4312 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.52 |
InChI Key: | RUJVZXMSRMYZRU-SFHVURJKSA-N |