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1489-01-6 | 6H-Pyrimido[4,5-b][1,4]diazepin-6-one, 5,9-dihydro-8-methyl-
CAS No: 1489-01-6 Catalog No: AG001L9Q MDL No:
Product Description
Catalog Number:
AG001L9Q
Chemical Name:
6H-Pyrimido[4,5-b][1,4]diazepin-6-one, 5,9-dihydro-8-methyl-
CAS Number:
1489-01-6
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
IUPAC Name:
8-methyl-5,9-dihydropyrimido[4,5-b][1,4]diazepin-6-one
InChI:
InChI=1S/C8H8N4O/c1-5-2-7(13)12-6-3-9-4-10-8(6)11-5/h2-4H,1H3,(H,12,13)(H,9,10,11)
InChI Key:
FAIQLOANDWESRB-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]c2c([nH]1)ncnc2
NSC Number:
92264
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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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