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2,2,2-trichloro-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

2,2,2-trichloro-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

Formula: C13H10Cl3N5OS

SMILES: CC1=NN=C2SC(=NN12)C1=CC=C(CNC(=O)C(Cl)(Cl)Cl)C=C1

IUPAC: 2,2,2-trichloro-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

InChI: InChI=1S/C13H10Cl3N5OS/c1-7-18-19-12-21(7)20-10(23-12)9-4-2-8(3-5-9)6-17-11(22)13(14,15)16/h2-5H,6H2,1H3,(H,17,22)

Composition: C (39.97%), H (2.58%), Cl (27.22%), N (17.93%), O (4.10%), S (8.21%)

Molar Mass: 390.67

Atom Count: 33

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 388.9671642
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey HFZAGMHZORYFQG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 124.8
Topological Polar Surface Area 72.18
Polarizability 34.74
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H10Cl3N5OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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