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N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Formula: C22H24N6O2S

SMILES: CC(=O)N1CCN(CC1)C1=CC=C(NC(=O)CSC2=NNC(=N2)C2=CC=CC=C2)C=C1

IUPAC: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

InChI: InChI=1S/C22H24N6O2S/c1-16(29)27-11-13-28(14-12-27)19-9-7-18(8-10-19)23-20(30)15-31-22-24-21(25-26-22)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,23,30)(H,24,25,26)

Composition: C (60.53%), H (5.54%), N (19.25%), O (7.33%), S (7.34%)

Molar Mass: 436.53

Atom Count: 55

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 436.168145211
Formal Charge 0
FSP3 0.27
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey OXWUIRJHMMJPGB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 135.99
Topological Polar Surface Area 94.22
Polarizability 46.75
Ring Count 4
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H24N6O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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