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2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(3-acetamidophenyl)propanamide

2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(3-acetamidophenyl)propanamide

Formula: C17H20N4O2S

SMILES: CC(SC1=NC(C)=CC(C)=N1)C(=O)NC1=CC(NC(C)=O)=CC=C1

IUPAC: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(3-acetamidophenyl)propanamide

InChI: InChI=1/C17H20N4O2S/c1-10-8-11(2)19-17(18-10)24-12(3)16(23)21-15-7-5-6-14(9-15)20-13(4)22/h5-9,12H,1-4H3,(H,20,22)(H,21,23)

Composition: C (59.28%), H (5.85%), N (16.27%), O (9.29%), S (9.31%)

Molar Mass: 344.43

Atom Count: 44

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 344.130697074
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CISUVPMCOHLSIC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.48
Topological Polar Surface Area 83.98
Polarizability 36.35
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H20N4O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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