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100008-84-2 | [1]Benzopyrano[4,3-c]pyrazol-4(1H)-one, 1,3-diphenyl-
CAS No: 100008-84-2 Catalog No: AG00009Q MDL No:
Product Description
Catalog Number:
AG00009Q
Chemical Name:
[1]Benzopyrano[4,3-c]pyrazol-4(1H)-one, 1,3-diphenyl-
CAS Number:
100008-84-2
Molecular Formula:
C22H14N2O2
Molecular Weight:
338.3588
IUPAC Name:
1,3-diphenylchromeno[4,3-c]pyrazol-4-one
InChI:
InChI=1S/C22H14N2O2/c25-22-19-20(15-9-3-1-4-10-15)23-24(16-11-5-2-6-12-16)21(19)17-13-7-8-14-18(17)26-22/h1-14H
InChI Key:
ZPXTZMAWXDLUOO-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c2c1c(nn2c1ccccc1)c1ccccc1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.106g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.366g/mol
Monoisotopic Mass:
338.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Synthesis, benzodiazepine receptor binding and molecular modelling of isochromeno[4,3-c]pyrazol-5(1H)-one derivatives. | European journal of medicinal chemistry 20120801 |
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