200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 325856-12-0
325856-12-0 | 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl] -4-nitro-benzamide
CAS No: 325856-12-0 Catalog No: AG01EUXC MDL No:MFCD00702407
Product Description
Catalog Number:
AG01EUXC
Chemical Name:
3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl] -4-nitro-benzamide
CAS Number:
325856-12-0
Molecular Formula:
C22H17N3O3S
Molecular Weight:
403.4537
MDL Number:
MFCD00702407
IUPAC Name:
3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide
InChI:
InChI=1S/C22H17N3O3S/c1-13-3-9-18-20(11-13)29-22(24-18)15-4-7-17(8-5-15)23-21(26)16-6-10-19(25(27)28)14(2)12-16/h3-12H,1-2H3,(H,23,26)
InChI Key:
UOGBYEZONKYUBZ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.099g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
403.456g/mol
Monoisotopic Mass:
403.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.