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N-(2,5-dimethylphenyl)-2-[(4-methylphthalazin-1-yl)sulfanyl]acetamide

N-(2,5-dimethylphenyl)-2-[(4-methylphthalazin-1-yl)sulfanyl]acetamide

Formula: C19H19N3OS

SMILES: CC1=CC=C(C)C(NC(=O)CSC2=C3C=CC=CC3=C(C)N=N2)=C1

IUPAC: N-(2,5-dimethylphenyl)-2-[(4-methylphthalazin-1-yl)sulfanyl]acetamide

InChI: InChI=1S/C19H19N3OS/c1-12-8-9-13(2)17(10-12)20-18(23)11-24-19-16-7-5-4-6-15(16)14(3)21-22-19/h4-10H,11H2,1-3H3,(H,20,23)

Composition: C (67.63%), H (5.68%), N (12.45%), O (4.74%), S (9.50%)

Molar Mass: 337.44

Atom Count: 43

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 337.124883418
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HQBLXKWMCSNKRI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.47
Topological Polar Surface Area 54.88
Polarizability 38.91
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H19N3OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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