AC1O0SQC structure

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

CAS: 536990-75-7
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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