200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 110579-04-9
110579-04-9 | Propanenitrile,3-[[1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl]thio]-
CAS No: 110579-04-9 Catalog No: AG0083NA MDL No:
Product Description
Catalog Number:
AG0083NA
Chemical Name:
Propanenitrile,3-[[1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl]thio]-
CAS Number:
110579-04-9
Molecular Formula:
C15H15N5O5S
Molecular Weight:
377.3751
IUPAC Name:
3-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylpropanenitrile
InChI:
InChI=1S/C15H15N5O5S/c1-10-17-14(20(23)24)15(26-7-3-6-16)18(10)9-11-4-5-13(25-2)12(8-11)19(21)22/h4-5,8H,3,7,9H2,1-2H3
InChI Key:
UPFKFKSSGOXYDM-UHFFFAOYSA-N
SMILES:
N#CCCSc1c(nc(n1Cc1ccc(c(c1)[N+](=O)[O-])OC)C)[N+](=O)[O-]
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.079g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.375g/mol
Monoisotopic Mass:
377.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.