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Home > Nitro Compounds > 478076-98-1
478076-98-1 | 2-{4-[(4-nitrophenyl)methyl]piperazin-1-yl}-1,3-benzothiazole
CAS No: 478076-98-1 Catalog No: AG00IQMO MDL No:MFCD00833628
Product Description
Catalog Number:
AG00IQMO
Chemical Name:
2-{4-[(4-nitrophenyl)methyl]piperazin-1-yl}-1,3-benzothiazole
CAS Number:
478076-98-1
Molecular Formula:
C18H18N4O2S
Molecular Weight:
354.4261
MDL Number:
MFCD00833628
IUPAC Name:
2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole
InChI:
InChI=1S/C18H18N4O2S/c23-22(24)15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)18-19-16-3-1-2-4-17(16)25-18/h1-8H,9-13H2
InChI Key:
JZRMQNWNCVZXKE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CN1CCN(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.115g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.428g/mol
Monoisotopic Mass:
354.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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