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3-(3,4-dichlorophenyl)-N-[2-(4-methanesulfonylpiperazin-1-yl)-2-oxoethyl]prop-2-enamide

3-(3,4-dichlorophenyl)-N-[2-(4-methanesulfonylpiperazin-1-yl)-2-oxoethyl]prop-2-enamide

Formula: C16H19Cl2N3O4S

SMILES: CS(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=CC1=CC(Cl)=C(Cl)C=C1

IUPAC: 3-(3,4-dichlorophenyl)-N-[2-(4-methanesulfonylpiperazin-1-yl)-2-oxoethyl]prop-2-enamide

InChI: InChI=1S/C16H19Cl2N3O4S/c1-26(24,25)21-8-6-20(7-9-21)16(23)11-19-15(22)5-3-12-2-4-13(17)14(18)10-12/h2-5,10H,6-9,11H2,1H3,(H,19,22)

Composition: C (45.72%), H (4.56%), Cl (16.87%), N (10.00%), O (15.23%), S (7.63%)

Molar Mass: 420.31

Atom Count: 45

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 419.0473327
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey WUJBXFXHDUVSFM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.01
Topological Polar Surface Area 86.79
Polarizability 39.44
Ring Count 2
Rotatable Bond Count 4

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Purity (%)
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C16H19Cl2N3O4S Quote Only
Selleck Chemicals
Purity LeadTime Formula UnitPrice
98% <10 Days C16H19Cl2N3O4S Quote Only