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2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(prop-2-en-1-yl)acetamide

2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(prop-2-en-1-yl)acetamide

CAS: 338957-46-3

Formula: C20H17ClN2OS

SMILES: ClC1=C(C=CC=C1)C1=NC(=C(CC(=O)NCC=C)S1)C1=CC=CC=C1

IUPAC: 2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(prop-2-en-1-yl)acetamide

InChI: InChI=1S/C20H17ClN2OS/c1-2-12-22-18(24)13-17-19(14-8-4-3-5-9-14)23-20(25-17)15-10-6-7-11-16(15)21/h2-11H,1,12-13H2,(H,22,24)

Composition: C (65.12%), H (4.65%), Cl (9.61%), N (7.59%), O (4.34%), S (8.69%)

Molar Mass: 368.88

Atom Count: 42

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 368.075012
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey UZVXHPQGMBOEQX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 112.91
Topological Polar Surface Area 41.99
Polarizability 41.4
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338957-46-3 $51.35-$86.31$51.35$63.37$86.31
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