4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl benzoate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl benzoate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl benzoate
Compound characteristics
| Compound ID: | D336-6949 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl benzoate |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | CCOc1cc(ccc1OC(c1ccccc1)=O)C1N(C(C)=O)N=C(NC(C)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8969 |
| logD: | 2.8504 |
| logSw: | -3.366 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.817 |
| InChI Key: | OMVSVEYFMNLLDV-IBGZPJMESA-N |