4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-chlorophenyl 4-methylbenzoate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-chlorophenyl 4-methylbenzoate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-chlorophenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | D336-7056 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-chlorophenyl 4-methylbenzoate |
| Molecular Weight: | 431.9 |
| Molecular Formula: | C20 H18 Cl N3 O4 S |
| Smiles: | CC(NC1=NN(C(c2ccc(c(c2)[Cl])OC(c2ccc(C)cc2)=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8669 |
| logD: | 3.8205 |
| logSw: | -4.5997 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.607 |
| InChI Key: | OYEUCPULHVEVMK-SFHVURJKSA-N |