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747414-22-8 | 5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-N-ethyl-4-iodoisoxazole-3-carboxaMide
CAS No: 747414-22-8 Catalog No: AG00FBZ0 MDL No:
Product Description
Catalog Number:
AG00FBZ0
Chemical Name:
5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-N-ethyl-4-iodoisoxazole-3-carboxaMide
CAS Number:
747414-22-8
Molecular Formula:
C29H29IN2O4
Molecular Weight:
596.4560
IUPAC Name:
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C29H29IN2O4/c1-4-31-29(33)27-26(30)28(36-32-27)23-15-22(19(2)3)24(34-17-20-11-7-5-8-12-20)16-25(23)35-18-21-13-9-6-10-14-21/h5-16,19H,4,17-18H2,1-3H3,(H,31,33)
InChI Key:
IMGRXNUBIXWPRF-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1noc(c1I)c1cc(C(C)C)c(cc1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
596.117g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
596.465g/mol
Monoisotopic Mass:
596.117g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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