4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl 3-methoxybenzoate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl 3-methoxybenzoate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | D336-6941 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl 3-methoxybenzoate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | CC(NC1=NN(C(c2ccc(c(c2)OC)OC(c2cccc(c2)OC)=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7983 |
| logD: | 2.7518 |
| logSw: | -3.4666 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.781 |
| InChI Key: | HWICUYMQCIOTNC-IBGZPJMESA-N |