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N-(4-{2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl}phenyl)acetamide

N-(4-{2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl}phenyl)acetamide

Formula: C19H16N4O2S

SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)CSC1=NC=C(N=N1)C1=CC=CC=C1

IUPAC: N-(4-{2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl}phenyl)acetamide

InChI: InChI=1S/C19H16N4O2S/c1-13(24)21-16-9-7-15(8-10-16)18(25)12-26-19-20-11-17(22-23-19)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,24)

Composition: C (62.62%), H (4.43%), N (15.37%), O (8.78%), S (8.80%)

Molar Mass: 364.42

Atom Count: 42

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 364.099396945
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey KVYXNHDBLSVWHL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.97
Topological Polar Surface Area 84.84
Polarizability 39.9
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H16N4O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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