AC1NJUXH
2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide
Also Known As: 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide|2-(4-amino-5-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol-3-ylt hio))-N-(4-bromophenyl)acetamide|2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide|2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
| Molecular Formula | C16H16BrN7OS |
|---|---|
| Molecular Weight | 433.03204 g/mol |
| LogP | 2.364 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.03204 |
| Monoisotopic Mass | 433.03204 |
| Heavy Atoms | 26 |
| Complexity | 950.1665 |
Chemical Identifiers
| CAS Number | 900261-45-2 |
|---|---|
| SMILES | C1CC2=C(C1)NN=C2C3=NN=C(N3N)SCC(=O)NC4=CC=C(C=C4)Br |
Product Overview
AC1NJUXH (CAS 900261-45-2), with molecular formula C16H16BrN7OS and molecular weight 433.03204 g/mol. IUPAC: 2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide.
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