AC1NESBV
N-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
Also Known As: Oprea1_283453|F0417-0725|N-(5-((2-((3,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide|N-[5-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide|N-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
| Molecular Formula | C25H30N4O5S2 |
|---|---|
| Molecular Weight | 530.1658 g/mol |
| LogP | 5.33414 |
| Topological Polar Surface Area | 111.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 530.1658 |
| Monoisotopic Mass | 530.1658 |
| Heavy Atoms | 36 |
| Complexity | 1167.6554 |
Chemical Identifiers
| CAS Number | 392296-69-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC(=C3)C)C |
Product Overview
AC1NESBV (CAS 392296-69-4), with molecular formula C25H30N4O5S2 and molecular weight 530.1658 g/mol. IUPAC: N-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide.
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