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N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide

N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide

Formula: C18H14N4O4S

SMILES: CC(=O)NC1=NC(=CS1)C1=CC=CC(NC(=O)C2=CC=CC(=C2)[N+]([O-])=O)=C1

IUPAC: N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide

InChI: InChI=1S/C18H14N4O4S/c1-11(23)19-18-21-16(10-27-18)12-4-2-6-14(8-12)20-17(24)13-5-3-7-15(9-13)22(25)26/h2-10H,1H3,(H,20,24)(H,19,21,23)

Composition: C (56.54%), H (3.69%), N (14.65%), O (16.74%), S (8.38%)

Molar Mass: 382.39

Atom Count: 41

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 382.073576121
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XMBZEKUIMUWEDB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.22
Topological Polar Surface Area 114.23
Polarizability 38.44
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H14N4O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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