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606082-53-5 | Benzothiazole, 2-[1-[[1-[(4-methoxyphenyl)methyl]-1H-tetrazol-5-yl]methyl]-4-piperidinyl]- (9CI)
CAS No: 606082-53-5 Catalog No: AG00EOID MDL No:
Product Description
Catalog Number:
AG00EOID
Chemical Name:
Benzothiazole, 2-[1-[[1-[(4-methoxyphenyl)methyl]-1H-tetrazol-5-yl]methyl]-4-piperidinyl]- (9CI)
CAS Number:
606082-53-5
IUPAC Name:
2-[1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C22H24N6OS/c1-29-18-8-6-16(7-9-18)14-28-21(24-25-26-28)15-27-12-10-17(11-13-27)22-23-19-4-2-3-5-20(19)30-22/h2-9,17H,10-15H2,1H3
InChI Key:
UGHSOPGSPAELQX-UHFFFAOYSA-N
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.173g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.535g/mol
Monoisotopic Mass:
420.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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