3-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 4-chlorobenzoate
Chemical Structure Depiction of
3-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 4-chlorobenzoate
3-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | D336-7699 |
| Compound Name: | 3-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 4-chlorobenzoate |
| Molecular Weight: | 417.87 |
| Molecular Formula: | C19 H16 Cl N3 O4 S |
| Smiles: | CC(NC1=NN(C(c2cccc(c2)OC(c2ccc(cc2)[Cl])=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3783 |
| logD: | 3.3318 |
| logSw: | -4.1197 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.52 |
| InChI Key: | JDCOHGOZDLKBPN-KRWDZBQOSA-N |