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590395-97-4 | Acetamide, N-[3-(2-benzoxazolyl)-2-methylphenyl]-2-[4-(1,1-dimethylethyl)phenoxy]- (9CI)
CAS No: 590395-97-4 Catalog No: AG00EME2 MDL No:
Product Description
Catalog Number:
AG00EME2
Chemical Name:
Acetamide, N-[3-(2-benzoxazolyl)-2-methylphenyl]-2-[4-(1,1-dimethylethyl)phenoxy]- (9CI)
CAS Number:
590395-97-4
IUPAC Name:
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-tert-butylphenoxy)acetamide
InChI:
InChI=1S/C26H26N2O3/c1-17-20(25-28-22-9-5-6-11-23(22)31-25)8-7-10-21(17)27-24(29)16-30-19-14-12-18(13-15-19)26(2,3)4/h5-15H,16H2,1-4H3,(H,27,29)
InChI Key:
JLLOMPKNJZEZGE-UHFFFAOYSA-N
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.194g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.505g/mol
Monoisotopic Mass:
414.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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