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137382-10-6 | 1(2H)-Phthalazinone, 2-methyl-4-(5-thiazolyl)-
CAS No: 137382-10-6 Catalog No: AG001382 MDL No:
Product Description
Catalog Number:
AG001382
Chemical Name:
1(2H)-Phthalazinone, 2-methyl-4-(5-thiazolyl)-
CAS Number:
137382-10-6
Molecular Formula:
C12H9N3OS
Molecular Weight:
243.2844
IUPAC Name:
2-methyl-4-(1,3-thiazol-5-yl)phthalazin-1-one
InChI:
InChI=1S/C12H9N3OS/c1-15-12(16)9-5-3-2-4-8(9)11(14-15)10-6-13-7-17-10/h2-7H,1H3
InChI Key:
KYHISOZRMVLEAX-UHFFFAOYSA-N
SMILES:
Cn1nc(c2cncs2)c2c(c1=O)cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.284g/mol
Monoisotopic Mass:
243.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Novel antiasthmatic agents with dual activities of thromboxane A2 synthetase inhibition and bronchodilation. 2. 4-(3-Pyridyl)-1(2H)-phthalazinones. | Journal of medicinal chemistry 19931210 |
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