4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-chloro-6-methoxyphenyl 3-methoxybenzoate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-chloro-6-methoxyphenyl 3-methoxybenzoate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-chloro-6-methoxyphenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | D336-6968 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-chloro-6-methoxyphenyl 3-methoxybenzoate |
| Molecular Weight: | 477.92 |
| Molecular Formula: | C21 H20 Cl N3 O6 S |
| Smiles: | CC(NC1=NN(C(c2cc(c(c(c2)[Cl])OC(c2cccc(c2)OC)=O)OC)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7565 |
| logD: | 3.71 |
| logSw: | -4.4921 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.868 |
| InChI Key: | SURUAVGLKVPVDK-IBGZPJMESA-N |