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Home > Nitro Compounds > 329778-08-7
329778-08-7 | 2-{[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylidene}propanedinitrile
CAS No: 329778-08-7 Catalog No: AG00ISVK MDL No:MFCD01783143
Product Description
Catalog Number:
AG00ISVK
Chemical Name:
2-{[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylidene}propanedinitrile
CAS Number:
329778-08-7
Molecular Formula:
C21H19N5O2
Molecular Weight:
373.4079
MDL Number:
MFCD01783143
IUPAC Name:
2-[[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylidene]propanedinitrile
InChI:
InChI=1S/C21H19N5O2/c22-14-19(15-23)12-18-6-7-20(21(13-18)26(27)28)25-10-8-24(9-11-25)16-17-4-2-1-3-5-17/h1-7,12-13H,8-11,16H2
InChI Key:
UMPRYWUQSMTIEH-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1)C#N
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.154g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.416g/mol
Monoisotopic Mass:
373.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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