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88138-39-0 | Benzamide, N-[2-[4-[[10-(1H-imidazol-1-yl)decyl]oxy]phenyl]ethyl]-
CAS No: 88138-39-0 Catalog No: AG008C39 MDL No:
Product Description
Catalog Number:
AG008C39
Chemical Name:
Benzamide, N-[2-[4-[[10-(1H-imidazol-1-yl)decyl]oxy]phenyl]ethyl]-
CAS Number:
88138-39-0
Molecular Formula:
C28H37N3O2
Molecular Weight:
447.6123
IUPAC Name:
N-[2-[4-(10-imidazol-1-yldecoxy)phenyl]ethyl]benzamide
InChI:
InChI=1S/C28H37N3O2/c32-28(26-12-8-7-9-13-26)30-19-18-25-14-16-27(17-15-25)33-23-11-6-4-2-1-3-5-10-21-31-22-20-29-24-31/h7-9,12-17,20,22,24H,1-6,10-11,18-19,21,23H2,(H,30,32)
InChI Key:
YPXSNMAJFOIINL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NCCc1ccc(cc1)OCCCCCCCCCCn1cncc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.289g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.623g/mol
Monoisotopic Mass:
447.289g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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