200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 332377-38-5
332377-38-5 | 2-[5-(3-Hydroxy-naphthalen-2-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methyl-3-nitro-phenyl)-acetamide
CAS No: 332377-38-5 Catalog No: AG01EV9E MDL No:
Product Description
Catalog Number:
AG01EV9E
Chemical Name:
2-[5-(3-Hydroxy-naphthalen-2-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methyl-3-nitro-phenyl)-acetamide
CAS Number:
332377-38-5
Molecular Formula:
C21H16N4O5S
Molecular Weight:
436.4405
IUPAC Name:
2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
InChI:
InChI=1S/C21H16N4O5S/c1-12-6-7-15(10-17(12)25(28)29)22-19(27)11-31-21-24-23-20(30-21)16-8-13-4-2-3-5-14(13)9-18(16)26/h2-10,26H,11H2,1H3,(H,22,27)
InChI Key:
MXPUSYRGWANKBP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)CSc1nnc(o1)c1cc2ccccc2cc1O
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.084g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.442g/mol
Monoisotopic Mass:
436.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.