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N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide

Formula: C14H14Cl2N2OS

SMILES: CC(C)CC(=O)NC1=NC(=CS1)C1=CC=C(Cl)C(Cl)=C1

IUPAC: N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide

InChI: InChI=1S/C14H14Cl2N2OS/c1-8(2)5-13(19)18-14-17-12(7-20-14)9-3-4-10(15)11(16)6-9/h3-4,6-8H,5H2,1-2H3,(H,17,18,19)

Composition: C (51.07%), H (4.29%), Cl (21.53%), N (8.51%), O (4.86%), S (9.74%)

Molar Mass: 329.24

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 328.0203897
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KPPSFQLYWUDPLY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 83.75
Topological Polar Surface Area 41.99
Polarizability 33.25
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H14Cl2N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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