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104679-66-5 | 3H-Pyrazolo[4,3-c]quinolin-3-one, 2,5-dihydro-2-(3-thienyl)-
CAS No: 104679-66-5 Catalog No: AG007XPE MDL No:
Product Description
Catalog Number:
AG007XPE
Chemical Name:
3H-Pyrazolo[4,3-c]quinolin-3-one, 2,5-dihydro-2-(3-thienyl)-
CAS Number:
104679-66-5
Molecular Formula:
C14H9N3OS
Molecular Weight:
267.3058
IUPAC Name:
2-thiophen-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one
InChI:
InChI=1S/C14H9N3OS/c18-14-11-7-15-12-4-2-1-3-10(12)13(11)16-17(14)9-5-6-19-8-9/h1-8,16H
InChI Key:
YHYFNJOSLJBUHN-UHFFFAOYSA-N
SMILES:
O=c1c2c[nH]c3c(c2nn1c1cscc1)cccc3
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.306g/mol
Monoisotopic Mass:
267.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationship studies of a series of non-benzodiazepine structural ligands binding to benzodiazepine receptor. | European journal of medicinal chemistry 20080701 |
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