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1210610-70-0 | 7-(2-Mercaptoethyl)pyrazolo[1,5-a]pyrido-[3,4-e]pyrimidin-6(7H)-one
CAS No: 1210610-70-0 Catalog No: AG00HFVF MDL No:
Product Description
Catalog Number:
AG00HFVF
Chemical Name:
7-(2-Mercaptoethyl)pyrazolo[1,5-a]pyrido-[3,4-e]pyrimidin-6(7H)-one
CAS Number:
1210610-70-0
IUPAC Name:
11-(2-sulfanylethyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
InChI:
InChI=1S/C11H10N4OS/c16-11-8-7-12-10-1-3-13-15(10)9(8)2-4-14(11)5-6-17/h1-4,7,17H,5-6H2
InChI Key:
OXTXHCMYDFEEMD-UHFFFAOYSA-N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.288g/mol
Monoisotopic Mass:
246.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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