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604795-49-5 | 2(1H)-Quinoxalinone,4-[(2-benzoxazolylthio)acetyl]-3,4-dihydro-(9CI)
CAS No: 604795-49-5 Catalog No: AG00EY8E MDL No:
Product Description
Catalog Number:
AG00EY8E
Chemical Name:
2(1H)-Quinoxalinone,4-[(2-benzoxazolylthio)acetyl]-3,4-dihydro-(9CI)
CAS Number:
604795-49-5
IUPAC Name:
4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one
InChI:
InChI=1S/C17H13N3O3S/c21-15-9-20(13-7-3-1-5-11(13)18-15)16(22)10-24-17-19-12-6-2-4-8-14(12)23-17/h1-8H,9-10H2,(H,18,21)
InChI Key:
XOZZFCIJQMVTQV-UHFFFAOYSA-N
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.068g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.369g/mol
Monoisotopic Mass:
339.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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