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332898-11-0 | 3,3-dimethyl-11-(2-pyridinyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
CAS No: 332898-11-0 Catalog No: AG01FON2 MDL No:
Product Description
Catalog Number:
AG01FON2
Chemical Name:
3,3-dimethyl-11-(2-pyridinyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
CAS Number:
332898-11-0
IUPAC Name:
9,9-dimethyl-6-pyridin-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
InChI:
InChI=1S/C20H21N3O/c1-20(2)11-16-18(17(24)12-20)19(15-9-5-6-10-21-15)23-14-8-4-3-7-13(14)22-16/h3-10,19,22-23H,11-12H2,1-2H3
InChI Key:
LQLJKFQIQRAIOP-UHFFFAOYSA-N
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.408g/mol
Monoisotopic Mass:
319.168g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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