4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl 2-chlorobenzoate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl 2-chlorobenzoate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl 2-chlorobenzoate
Compound characteristics
Compound ID: | D336-6945 |
Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl 2-chlorobenzoate |
Molecular Weight: | 447.9 |
Molecular Formula: | C20 H18 Cl N3 O5 S |
Smiles: | CC(NC1=NN(C(c2ccc(c(c2)OC)OC(c2ccccc2[Cl])=O)S1)C(C)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5903 |
logD: | 3.5438 |
logSw: | -4.0934 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.238 |
InChI Key: | HUPYVPNJJDFDNN-SFHVURJKSA-N |