AC1NO00B
N-[[4-benzyl-5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1377|(1S,3s)-N-((4-benzyl-5-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide|N-[[4-benzyl-5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide|N-{[4-benzyl-5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide
| Molecular Formula | C29H32FN5O2S |
|---|---|
| Molecular Weight | 533.2261 g/mol |
| LogP | 5.0289 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.2261 |
| Monoisotopic Mass | 533.2261 |
| Heavy Atoms | 38 |
| Complexity | 1274.9783 |
Chemical Identifiers
| CAS Number | 477303-47-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CC5=CC=CC=C5)SCC(=O)NC6=CC=C(C=C6)F |
Product Overview
AC1NO00B (CAS 477303-47-2), with molecular formula C29H32FN5O2S and molecular weight 533.2261 g/mol. IUPAC: N-[[4-benzyl-5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
AC1NO00B is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »