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84255-04-9 | Benzeneacetamide,4-[3-[[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl](phenylmethyl)amino]-2-hydroxypropoxy]-
CAS No: 84255-04-9 Catalog No: AG004U6T MDL No:
Product Description
Catalog Number:
AG004U6T
Chemical Name:
Benzeneacetamide,4-[3-[[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl](phenylmethyl)amino]-2-hydroxypropoxy]-
CAS Number:
84255-04-9
Molecular Formula:
C28H32N4O4
Molecular Weight:
488.5781
IUPAC Name:
2-[4-[3-[benzyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]-2-hydroxypropoxy]phenyl]acetamide
InChI:
InChI=1S/C28H32N4O4/c29-27(34)17-21-11-13-24(14-12-21)36-20-23(33)19-31(18-22-7-2-1-3-8-22)15-6-16-32-26-10-5-4-9-25(26)30-28(32)35/h1-5,7-14,23,33H,6,15-20H2,(H2,29,34)(H,30,35)
InChI Key:
QCSFBRDXPIUVII-UHFFFAOYSA-N
SMILES:
OC(CN(Cc1ccccc1)CCCn1c(=O)[nH]c2c1cccc2)COc1ccc(cc1)CC(=O)N
EC Number:
282-551-9
Properties
Complexity:
693
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.242g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
488.588g/mol
Monoisotopic Mass:
488.242g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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