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3,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

3,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

Formula: C21H22N2O5S

SMILES: COC1=CC=C(C=C1)C1=C(C)SC(NC(=O)C2=CC(OC)=C(OC)C(OC)=C2)=N1

IUPAC: 3,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

InChI: InChI=1S/C21H22N2O5S/c1-12-18(13-6-8-15(25-2)9-7-13)22-21(29-12)23-20(24)14-10-16(26-3)19(28-5)17(11-14)27-4/h6-11H,1-5H3,(H,22,23,24)

Composition: C (60.86%), H (5.35%), N (6.76%), O (19.30%), S (7.74%)

Molar Mass: 414.48

Atom Count: 51

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 414.12494299
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey OUVHJAGRVLCSNX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 111.95
Topological Polar Surface Area 78.91
Polarizability 43.51
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H22N2O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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