AC1N6NIB
N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide
Also Known As: F0721-0573|N-((5-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-1-naphthamide|N-{[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}naphthalene-1-carboxamide|N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide
| Molecular Formula | C28H22FN5O2S |
|---|---|
| Molecular Weight | 511.14783 g/mol |
| LogP | 5.2204 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.14783 |
| Monoisotopic Mass | 511.14783 |
| Heavy Atoms | 37 |
| Complexity | 1549.2228 |
Chemical Identifiers
| CAS Number | 393873-76-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)CNC(=O)C4=CC=CC5=CC=CC=C54 |
Product Overview
AC1N6NIB (CAS 393873-76-2), with molecular formula C28H22FN5O2S and molecular weight 511.14783 g/mol. IUPAC: N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide.
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