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Home > Imidazoles > 137918-88-8
137918-88-8 | Benzamide, N-[2,3,6,7-tetrahydro-7-(4-nitrophenyl)-5-oxo-5H-imidazo[2,1-b][1,3]thiazin-6-yl]-
CAS No: 137918-88-8 Catalog No: AG001441 MDL No:
Product Description
Catalog Number:
AG001441
Chemical Name:
Benzamide, N-[2,3,6,7-tetrahydro-7-(4-nitrophenyl)-5-oxo-5H-imidazo[2,1-b][1,3]thiazin-6-yl]-
CAS Number:
137918-88-8
Molecular Formula:
C19H16N4O4S
Molecular Weight:
396.4197
IUPAC Name:
N-[7-(4-nitrophenyl)-5-oxo-2,3,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-6-yl]benzamide
InChI:
InChI=1S/C19H16N4O4S/c24-17(13-4-2-1-3-5-13)21-15-16(12-6-8-14(9-7-12)23(26)27)28-19-20-10-11-22(19)18(15)25/h1-9,15-16H,10-11H2,(H,21,24)
InChI Key:
AAYBXSXYDGDBSC-UHFFFAOYSA-N
SMILES:
O=C1N2CCN=C2SC(C1NC(=O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.089g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.421g/mol
Monoisotopic Mass:
396.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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