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606082-39-7 | Benzothiazole, 2-[1-[[1-(1,1-dimethylethyl)-1H-tetrazol-5-yl]methyl]-4-piperidinyl]- (9CI)
CAS No: 606082-39-7 Catalog No: AG00EOIE MDL No:
Product Description
Catalog Number:
AG00EOIE
Chemical Name:
Benzothiazole, 2-[1-[[1-(1,1-dimethylethyl)-1H-tetrazol-5-yl]methyl]-4-piperidinyl]- (9CI)
CAS Number:
606082-39-7
IUPAC Name:
2-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C18H24N6S/c1-18(2,3)24-16(20-21-22-24)12-23-10-8-13(9-11-23)17-19-14-6-4-5-7-15(14)25-17/h4-7,13H,8-12H2,1-3H3
InChI Key:
ZFMYDKREKCLCGY-UHFFFAOYSA-N
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.492g/mol
Monoisotopic Mass:
356.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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