AC1NDZQ0
N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1009|(1S,3s)-N-((5-((4-fluorobenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide|N-[(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide|N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
| Molecular Formula | C28H31FN4O2S |
|---|---|
| Molecular Weight | 506.21518 g/mol |
| LogP | 5.5399 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.21518 |
| Monoisotopic Mass | 506.21518 |
| Heavy Atoms | 36 |
| Complexity | 1206.1564 |
Chemical Identifiers
| CAS Number | 477299-77-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)CNC(=O)C45CC6CC(C4)CC(C6)C5 |
Product Overview
AC1NDZQ0 (CAS 477299-77-7), with molecular formula C28H31FN4O2S and molecular weight 506.21518 g/mol. IUPAC: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
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