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N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3,4,5-triethoxybenzamide

N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3,4,5-triethoxybenzamide

CAS: 6015-57-2

Formula: C26H26N2O6

SMILES: CCOC1=CC(=CC(OCC)=C1OCC)C(=O)NC1=CC(O)=C(C=C1)C1=NC2=CC=CC=C2O1

IUPAC: N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3,4,5-triethoxybenzamide

InChI: InChI=1S/C26H26N2O6/c1-4-31-22-13-16(14-23(32-5-2)24(22)33-6-3)25(30)27-17-11-12-18(20(29)15-17)26-28-19-9-7-8-10-21(19)34-26/h7-15,29H,4-6H2,1-3H3,(H,27,30)

Composition: C (67.52%), H (5.67%), N (6.06%), O (20.76%)

Molar Mass: 462.502

Atom Count: 60

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 462.179086565
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey YFNPBPJHWQOMEL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 138.97
Topological Polar Surface Area 103.05
Polarizability 50.4
Ring Count 4
Rotatable Bond Count 9

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95% <14 Days 6015-57-2 $249.48$249.48
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