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88138-13-0 | Benzamide, 4-chloro-N-[4-[[8-(1H-imidazol-1-yl)octyl]oxy]phenyl]-
CAS No: 88138-13-0 Catalog No: AG004FBL MDL No:
Product Description
Catalog Number:
AG004FBL
Chemical Name:
Benzamide, 4-chloro-N-[4-[[8-(1H-imidazol-1-yl)octyl]oxy]phenyl]-
CAS Number:
88138-13-0
Molecular Formula:
C24H28ClN3O2
Molecular Weight:
425.9510
IUPAC Name:
4-chloro-N-[4-(8-imidazol-1-yloctoxy)phenyl]benzamide
InChI:
InChI=1S/C24H28ClN3O2/c25-21-9-7-20(8-10-21)24(29)27-22-11-13-23(14-12-22)30-18-6-4-2-1-3-5-16-28-17-15-26-19-28/h7-15,17,19H,1-6,16,18H2,(H,27,29)
InChI Key:
IBNBIFSJGPWHJW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)Nc1ccc(cc1)OCCCCCCCCn1cncc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.187g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
425.957g/mol
Monoisotopic Mass:
425.187g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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