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606082-48-8 | Benzothiazole, 2-[1-[[1-(phenylmethyl)-1H-tetrazol-5-yl]methyl]-4-piperidinyl]- (9CI)
CAS No: 606082-48-8 Catalog No: AG00EHVW MDL No:
Product Description
Catalog Number:
AG00EHVW
Chemical Name:
Benzothiazole, 2-[1-[[1-(phenylmethyl)-1H-tetrazol-5-yl]methyl]-4-piperidinyl]- (9CI)
CAS Number:
606082-48-8
IUPAC Name:
2-[1-[(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C21H22N6S/c1-2-6-16(7-3-1)14-27-20(23-24-25-27)15-26-12-10-17(11-13-26)21-22-18-8-4-5-9-19(18)28-21/h1-9,17H,10-15H2
InChI Key:
OBMKSJAQUREOSP-UHFFFAOYSA-N
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.509g/mol
Monoisotopic Mass:
390.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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