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25177-93-9 | 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-
CAS No: 25177-93-9 Catalog No: AG002QRI MDL No:
Product Description
Catalog Number:
AG002QRI
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-
CAS Number:
25177-93-9
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C16H14N2O2/c1-18-13-10-6-5-9-12(13)14(17-15(19)16(18)20)11-7-3-2-4-8-11/h2-10,15,19H,1H3
InChI Key:
KNHIEESWXQZBEJ-UHFFFAOYSA-N
SMILES:
O=C1C(O)N=C(c2c(N1C)cccc2)c1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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