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747414-23-9 | 5-[2,4-Bis(benzyloxy)-5-isopropylphenyl]-N-ethyl-4-(4-forMylphenyl)isoxazole-3-carboxaMide
CAS No: 747414-23-9 Catalog No: AG00FKNO MDL No:MFCD17171368
Product Description
Catalog Number:
AG00FKNO
Chemical Name:
5-[2,4-Bis(benzyloxy)-5-isopropylphenyl]-N-ethyl-4-(4-forMylphenyl)isoxazole-3-carboxaMide
CAS Number:
747414-23-9
Molecular Formula:
C36H34N2O5
Molecular Weight:
574.6656
MDL Number:
MFCD17171368
IUPAC Name:
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C36H34N2O5/c1-4-37-36(40)34-33(28-17-15-25(21-39)16-18-28)35(43-38-34)30-19-29(24(2)3)31(41-22-26-11-7-5-8-12-26)20-32(30)42-23-27-13-9-6-10-14-27/h5-21,24H,4,22-23H2,1-3H3,(H,37,40)
InChI Key:
JDINHIFHEFLORE-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1noc(c1c1ccc(cc1)C=O)c1cc(C(C)C)c(cc1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
849
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
574.247g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
574.677g/mol
Monoisotopic Mass:
574.247g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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