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606083-05-0 | Piperidine, 4-(2-benzothiazolyl)-1-[[2,5-diethoxy-4-(1-piperidinylsulfonyl)phenyl]sulfonyl]- (9CI)
CAS No: 606083-05-0 Catalog No: AG00F8OO MDL No:
Product Description
Catalog Number:
AG00F8OO
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-[[2,5-diethoxy-4-(1-piperidinylsulfonyl)phenyl]sulfonyl]- (9CI)
CAS Number:
606083-05-0
IUPAC Name:
2-[1-(2,5-diethoxy-4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C27H35N3O6S3/c1-3-35-22-19-26(23(36-4-2)18-25(22)38(31,32)29-14-8-5-9-15-29)39(33,34)30-16-12-20(13-17-30)27-28-21-10-6-7-11-24(21)37-27/h6-7,10-11,18-20H,3-5,8-9,12-17H2,1-2H3
InChI Key:
HKMWCEYXAPXTGF-UHFFFAOYSA-N
Properties
Complexity:
1000
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
593.169g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
593.772g/mol
Monoisotopic Mass:
593.169g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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