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1226896-38-3 | Propanamide, 2,2'-[(2-iodo-1,3-phenylene)bis(oxy)]bis[N-(2,4,6-trimethylphenyl)-, (2R,2'R)-
CAS No: 1226896-38-3 Catalog No: AG000J00 MDL No:
Product Description
Catalog Number:
AG000J00
Chemical Name:
Propanamide, 2,2'-[(2-iodo-1,3-phenylene)bis(oxy)]bis[N-(2,4,6-trimethylphenyl)-, (2R,2'R)-
CAS Number:
1226896-38-3
Molecular Formula:
C30H35IN2O4
Molecular Weight:
614.5144
IUPAC Name:
(2R)-2-[2-iodo-3-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxyphenoxy]-N-(2,4,6-trimethylphenyl)propanamide
InChI:
InChI=1S/C30H35IN2O4/c1-16-12-18(3)27(19(4)13-16)32-29(34)22(7)36-24-10-9-11-25(26(24)31)37-23(8)30(35)33-28-20(5)14-17(2)15-21(28)6/h9-15,22-23H,1-8H3,(H,32,34)(H,33,35)/t22-,23-/m1/s1
InChI Key:
ZVOKSLMZXDIXPR-DHIUTWEWSA-N
SMILES:
C[C@H](C(=O)Nc1c(C)cc(cc1C)C)Oc1cccc(c1I)O[C@@H](C(=O)Nc1c(C)cc(cc1C)C)C
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
614.164g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
614.524g/mol
Monoisotopic Mass:
614.164g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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