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N-(5-{2-[(5-chloro-2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide

N-(5-{2-[(5-chloro-2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide

CAS: 421580-53-2

Formula: C21H17ClN4O2S2

SMILES: COC1=CC=C(Cl)C=C1NC1=NC(=CS1)C1=C(C)N=C(NC(=O)C2=CC=CC=C2)S1

IUPAC: N-(5-{2-[(5-chloro-2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide

InChI: InChI=1S/C21H17ClN4O2S2/c1-12-18(30-21(23-12)26-19(27)13-6-4-3-5-7-13)16-11-29-20(25-16)24-15-10-14(22)8-9-17(15)28-2/h3-11H,1-2H3,(H,24,25)(H,23,26,27)

Composition: C (55.20%), H (3.75%), Cl (7.76%), N (12.26%), O (7.00%), S (14.03%)

Molar Mass: 456.96

Atom Count: 47

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 456.0481459
Formal Charge 0
FSP3 0.1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey RDOBOPJBMQURAT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 119.85
Topological Polar Surface Area 76.14
Polarizability 46.35
Ring Count 4
Rotatable Bond Count 6

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98% <4 Days 421580-53-2 $233.91$233.91
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