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178468-14-9 | 4H-3,1-Benzoxazin-4-one, 2-[(2-iodophenyl)amino]-
CAS No: 178468-14-9 Catalog No: AG002630 MDL No:
Product Description
Catalog Number:
AG002630
Chemical Name:
4H-3,1-Benzoxazin-4-one, 2-[(2-iodophenyl)amino]-
CAS Number:
178468-14-9
Molecular Formula:
C14H9IN2O2
Molecular Weight:
364.1379
IUPAC Name:
2-(2-iodoanilino)-3,1-benzoxazin-4-one
InChI:
InChI=1S/C14H9IN2O2/c15-10-6-2-4-8-12(10)17-14-16-11-7-3-1-5-9(11)13(18)19-14/h1-8H,(H,16,17)
InChI Key:
NVDRCKMNVTXDHD-UHFFFAOYSA-N
SMILES:
Ic1ccccc1Nc1nc2ccccc2c(=O)o1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.971g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.142g/mol
Monoisotopic Mass:
363.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| 2-amino-4H-3,1-benzoxazin-4-ones as inhibitors of C1r serine protease. | Journal of medicinal chemistry 19980326 |
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