4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl 4-tert-butylbenzoate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl 4-tert-butylbenzoate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | D336-6952 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl 4-tert-butylbenzoate |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C25 H29 N3 O5 S |
| Smiles: | CCOc1cc(ccc1OC(c1ccc(cc1)C(C)(C)C)=O)C1N(C(C)=O)N=C(NC(C)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7964 |
| logD: | 4.75 |
| logSw: | -4.6552 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.817 |
| InChI Key: | ZIKWTBNNAKNZKG-QFIPXVFZSA-N |