AC1O0SQC
2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: Oprea1_495946|NCGC00104401-01|C118-0442|F0576-0822|2-((2-fluorobenzyl)thio)-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-5-METHYL-N-PHENYL-7-(3,4,5-TRIMETHOXYPHENYL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE
| Molecular Formula | C29H28FN5O4S |
|---|---|
| Molecular Weight | 561.18463 g/mol |
| LogP | 5.6629 |
| Topological Polar Surface Area | 99.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 561.18463 |
| Monoisotopic Mass | 561.18463 |
| Heavy Atoms | 40 |
| Complexity | 1548.9001 |
Chemical Identifiers
| CAS Number | 536990-75-7 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3F)N1)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)NC5=CC=CC=C5 |
Product Overview
AC1O0SQC (CAS 536990-75-7), with molecular formula C29H28FN5O4S and molecular weight 561.18463 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
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