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1796933-25-9 | 1-(5-Isoquinolinesulfonyl)-4-tert-butyloxycarbonyl-2-methylpiperazine
CAS No: 1796933-25-9 Catalog No: AG01CBZM MDL No:
Product Description
Catalog Number:
AG01CBZM
Chemical Name:
1-(5-Isoquinolinesulfonyl)-4-tert-butyloxycarbonyl-2-methylpiperazine
CAS Number:
1796933-25-9
IUPAC Name:
tert-butyl 4-isoquinolin-5-ylsulfonyl-3-methylpiperazine-1-carboxylate
InChI:
InChI=1S/C19H25N3O4S/c1-14-13-21(18(23)26-19(2,3)4)10-11-22(14)27(24,25)17-7-5-6-15-12-20-9-8-16(15)17/h5-9,12,14H,10-11,13H2,1-4H3
InChI Key:
ZYSUPDFXPOJRSC-UHFFFAOYSA-N
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.157g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.486g/mol
Monoisotopic Mass:
391.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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