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28797-48-0 | 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-(2-chloroacetyl)-5,11-dihydro-
CAS No: 28797-48-0 Catalog No: AG002WJA MDL No:MFCD01948712
Product Description
Catalog Number:
AG002WJA
Chemical Name:
6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-(2-chloroacetyl)-5,11-dihydro-
CAS Number:
28797-48-0
Molecular Formula:
C14H10ClN3O2
Molecular Weight:
287.7011
MDL Number:
MFCD01948712
IUPAC Name:
11-(2-chloroacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
InChI:
InChI=1S/C14H10ClN3O2/c15-8-12(19)18-11-6-2-1-4-9(11)14(20)17-10-5-3-7-16-13(10)18/h1-7H,8H2,(H,17,20)
InChI Key:
RMBZFWLMYVPNGI-UHFFFAOYSA-N
SMILES:
ClCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2
EC Number:
249-227-9
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.703g/mol
Monoisotopic Mass:
287.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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