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747414-21-7 | 5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-N-ethylisoxazole-3-carboxaMide
CAS No: 747414-21-7 Catalog No: AG00FBZ1 MDL No:
Product Description
Catalog Number:
AG00FBZ1
Chemical Name:
5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-N-ethylisoxazole-3-carboxaMide
CAS Number:
747414-21-7
Molecular Formula:
C29H30N2O4
Molecular Weight:
470.5595
IUPAC Name:
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C29H30N2O4/c1-4-30-29(32)25-16-28(35-31-25)24-15-23(20(2)3)26(33-18-21-11-7-5-8-12-21)17-27(24)34-19-22-13-9-6-10-14-22/h5-17,20H,4,18-19H2,1-3H3,(H,30,32)
InChI Key:
BEZNKTGLEYAPEN-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1noc(c1)c1cc(C(C)C)c(cc1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.221g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
470.569g/mol
Monoisotopic Mass:
470.221g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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