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606082-57-9 | Benzothiazole, 2-[1-[[1-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazol-5-yl]methyl]-4-piperidinyl]- (9CI)
CAS No: 606082-57-9 Catalog No: AG00EOO8 MDL No:
Product Description
Catalog Number:
AG00EOO8
Chemical Name:
Benzothiazole, 2-[1-[[1-(1,3-benzodioxol-5-ylmethyl)-1H-tetrazol-5-yl]methyl]-4-piperidinyl]- (9CI)
CAS Number:
606082-57-9
IUPAC Name:
2-[1-[2-(1,3-benzodioxol-5-yl)-1-(tetrazolidin-5-yl)ethyl]piperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C22H26N6O2S/c1-2-4-20-16(3-1)23-22(31-20)15-7-9-28(10-8-15)17(21-24-26-27-25-21)11-14-5-6-18-19(12-14)30-13-29-18/h1-6,12,15,17,21,24-27H,7-11,13H2
InChI Key:
DLGNCMBUOQSJLM-UHFFFAOYSA-N
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.184g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
438.55g/mol
Monoisotopic Mass:
438.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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