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606082-63-7 | Benzothiazole, 2-[1-[[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl]-4-piperidinyl]- (9CI)
CAS No: 606082-63-7 Catalog No: AG00EOMB MDL No:
Product Description
Catalog Number:
AG00EOMB
Chemical Name:
Benzothiazole, 2-[1-[[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl]-4-piperidinyl]- (9CI)
CAS Number:
606082-63-7
IUPAC Name:
2-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C22H24N6S/c1-2-6-17(7-3-1)10-15-28-21(24-25-26-28)16-27-13-11-18(12-14-27)22-23-19-8-4-5-9-20(19)29-22/h1-9,18H,10-16H2
InChI Key:
PSHVISIKIHGBST-UHFFFAOYSA-N
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.178g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.536g/mol
Monoisotopic Mass:
404.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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