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606113-84-2 | Acetamide, 2-[[3-(cyclopentylmethyl)-2-quinolinyl]thio]-N-(6-methoxy-2-benzothiazolyl)- (9CI)
CAS No: 606113-84-2 Catalog No: AG00EMA5 MDL No:
Product Description
Catalog Number:
AG00EMA5
Chemical Name:
Acetamide, 2-[[3-(cyclopentylmethyl)-2-quinolinyl]thio]-N-(6-methoxy-2-benzothiazolyl)- (9CI)
CAS Number:
606113-84-2
IUPAC Name:
2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
InChI:
InChI=1S/C25H25N3O2S2/c1-30-19-10-11-21-22(14-19)32-25(27-21)28-23(29)15-31-24-18(12-16-6-2-3-7-16)13-17-8-4-5-9-20(17)26-24/h4-5,8-11,13-14,16H,2-3,6-7,12,15H2,1H3,(H,27,28,29)
InChI Key:
PKFVWEMELAMBHO-UHFFFAOYSA-N
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.139g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
463.614g/mol
Monoisotopic Mass:
463.139g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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