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ZINC03129319

CAS No.:
1777807-64-3
Catalog Number:
AG01EO40
Molecular Formula:
C24H14N2O6S2
Molecular Weight:
490.5078
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%
1 week
United States
$446
- +
Product Description
Catalog Number:
AG01EO40
Chemical Name:
ZINC03129319
CAS Number:
1777807-64-3
Molecular Formula:
C24H14N2O6S2
Molecular Weight:
490.5078
MDL Number:
MFCD31657427
InChI:
InChI=1S/C24H14N2O6S2/c27-17-11-5-1-2-6-12(11)18(28)23(17)25-15(9-33-23)22(32)26-16(21(25)31)10-34-24(26)19(29)13-7-3-4-8-14(13)20(24)30/h1-8,15-16H,9-10H2/t15-,16-/m1/s1
InChI Key:
GBYAWPJNMFAKDJ-HZPDHXFCSA-N
SMILES:
O=C1[C@H]2CSC3(N2C(=O)[C@@H]2N1C1(SC2)C(=O)c2c(C1=O)cccc2)C(=O)c1c(C3=O)cccc1
Properties
Complexity:
957  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
490.029g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.504g/mol
Monoisotopic Mass:
490.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties