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100221-90-7 | Benzamide, 2-bromo-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-
CAS No: 100221-90-7 Catalog No: AG0001A3 MDL No:
Product Description
Catalog Number:
AG0001A3
Chemical Name:
Benzamide, 2-bromo-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-
CAS Number:
100221-90-7
Molecular Formula:
C20H24BrN3O
Molecular Weight:
402.3281
IUPAC Name:
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
InChI:
InChI=1S/C20H24BrN3O/c21-19-9-5-4-8-18(19)20(25)22-10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25)
InChI Key:
FUMYQFRAXDQWFR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1Br)NCCN1CCN(CC1)Cc1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.336g/mol
Monoisotopic Mass:
401.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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