AC1N8N0E
N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1415|N-[(5-{[(phenylcarbamoyl)methyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide|(1S,3s)-N-((5-((2-oxo-2-(phenylamino)ethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide|N-({5-[(N-phenylcarbamoyl)methylthio]-4-phenethyl-4H-1,2,4-triazol-3-yl}methyl)-1-adamantanecarboxamide|N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide|N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
| Molecular Formula | C30H35N5O2S |
|---|---|
| Molecular Weight | 529.25116 g/mol |
| LogP | 5.0842 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 529.25116 |
| Monoisotopic Mass | 529.25116 |
| Heavy Atoms | 38 |
| Complexity | 1241.0259 |
Chemical Identifiers
| CAS Number | 477303-89-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CCC5=CC=CC=C5)SCC(=O)NC6=CC=CC=C6 |
Product Overview
AC1N8N0E (CAS 477303-89-2), with molecular formula C30H35N5O2S and molecular weight 529.25116 g/mol. IUPAC: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.