AC1O1K3P structure

AC1O1K3P

2-benzylsulfanyl-7-[4-(diethylamino)phenyl]-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Also Known As: Oprea1_038132|F0576-0585|2-(benzylthio)-7-(4-(diethylamino)phenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-(BENZYLSULFANYL)-7-[4-(DIETHYLAMINO)PHENYL]-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE|2-benzylsulfanyl-7-[4-(diethylamino)phenyl]-5-methyl-N-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-benzylsulfanyl-7-[4-(diethylamino)phenyl]-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

CAS: 536985-37-2
Molecular Formula C29H31N7OS
Molecular Weight 525.2311 g/mol
LogP 5.7392
Topological Polar Surface Area 87.97 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 9
Exact Mass 525.2311
Monoisotopic Mass 525.2311
Heavy Atoms 38
Complexity 1414.5842

Chemical Identifiers

CAS Number 536985-37-2
SMILES CCN(CC)C1=CC=C(C=C1)C2C(=C(NC3=NC(=NN23)SCC4=CC=CC=C4)C)C(=O)NC5=CN=CC=C5

Product Overview

AC1O1K3P (CAS 536985-37-2), with molecular formula C29H31N7OS and molecular weight 525.2311 g/mol. IUPAC: 2-benzylsulfanyl-7-[4-(diethylamino)phenyl]-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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