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138590-56-4 | Benzenepropanamide, 4-(3-aminopropoxy)-N-[2-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethyl]-3,5-dibromo-α-(hydroxyimino)-
CAS No: 138590-56-4 Catalog No: AG0018TL MDL No:
Product Description
Catalog Number:
AG0018TL
Chemical Name:
Benzenepropanamide, 4-(3-aminopropoxy)-N-[2-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethyl]-3,5-dibromo-α-(hydroxyimino)-
CAS Number:
138590-56-4
Molecular Formula:
C23H28Br4N4O4
Molecular Weight:
744.1088
IUPAC Name:
3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-N-[2-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethyl]-2-hydroxyiminopropanamide
InChI:
InChI=1S/C23H28Br4N4O4/c24-16-9-14(10-17(25)21(16)34-7-1-4-28)3-6-30-23(32)20(31-33)13-15-11-18(26)22(19(27)12-15)35-8-2-5-29/h9-12,33H,1-8,13,28-29H2,(H,30,32)
InChI Key:
PDVHVPHTIIRYDO-UHFFFAOYSA-N
SMILES:
NCCCOc1c(Br)cc(cc1Br)CCNC(=O)C(=NO)Cc1cc(Br)c(c(c1)Br)OCCCN
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
743.88g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
744.117g/mol
Monoisotopic Mass:
739.884g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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