AC1N3IEE
3,4,5-triethoxy-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: Oprea1_229368|F0417-0971|3,4,5-triethoxy-N-[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide|3,4,5-triethoxy-N-(5-((2-((2-fluorophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide|3,4,5-triethoxy-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide|3,4,5-triethoxy-N-[5-[(2-fluorophenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C23H25FN4O5S2 |
|---|---|
| Molecular Weight | 520.12506 g/mol |
| LogP | 4.8564 |
| Topological Polar Surface Area | 111.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 520.12506 |
| Monoisotopic Mass | 520.12506 |
| Heavy Atoms | 35 |
| Complexity | 1147.3135 |
Chemical Identifiers
| CAS Number | 392298-74-7 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3F |
Product Overview
AC1N3IEE (CAS 392298-74-7), with molecular formula C23H25FN4O5S2 and molecular weight 520.12506 g/mol. IUPAC: 3,4,5-triethoxy-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
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