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604741-41-5 | Isothiazolo[4,5-d]pyrimidine, 7-(4-cyclopentyl-1-piperazinyl)-3-(4-methoxyphenyl)- (9CI)
CAS No: 604741-41-5 Catalog No: AG00EZE4 MDL No:
Product Description
Catalog Number:
AG00EZE4
Chemical Name:
Isothiazolo[4,5-d]pyrimidine, 7-(4-cyclopentyl-1-piperazinyl)-3-(4-methoxyphenyl)- (9CI)
CAS Number:
604741-41-5
IUPAC Name:
7-(4-cyclopentylpiperazin-1-yl)-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C21H25N5OS/c1-27-17-8-6-15(7-9-17)18-19-20(28-24-18)21(23-14-22-19)26-12-10-25(11-13-26)16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3
InChI Key:
IVOBUSNWCLGAJB-UHFFFAOYSA-N
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.178g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.525g/mol
Monoisotopic Mass:
395.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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