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606135-30-2 | Acetamide, 2-[(5,6-dihydro-5,5-dimethyl-1,2,4-triazolo[3,4-a]isoquinolin-3-yl)thio]-N-(2-thienylmethyl)- (9CI)
CAS No: 606135-30-2 Catalog No: AG00EMF4 MDL No:
Product Description
Catalog Number:
AG00EMF4
Chemical Name:
Acetamide, 2-[(5,6-dihydro-5,5-dimethyl-1,2,4-triazolo[3,4-a]isoquinolin-3-yl)thio]-N-(2-thienylmethyl)- (9CI)
CAS Number:
606135-30-2
IUPAC Name:
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
InChI:
InChI=1S/C19H20N4OS2/c1-19(2)10-13-6-3-4-8-15(13)17-21-22-18(23(17)19)26-12-16(24)20-11-14-7-5-9-25-14/h3-9H,10-12H2,1-2H3,(H,20,24)
InChI Key:
NVAVUIJHGPJEGE-UHFFFAOYSA-N
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.108g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.516g/mol
Monoisotopic Mass:
384.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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