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605628-00-0 | Piperidine, 4-(2-benzothiazolyl)-1-(3,4-dimethoxybenzoyl)- (9CI)
CAS No: 605628-00-0 Catalog No: AG00F81K MDL No:
Product Description
Catalog Number:
AG00F81K
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-(3,4-dimethoxybenzoyl)- (9CI)
CAS Number:
605628-00-0
IUPAC Name:
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
InChI:
InChI=1S/C21H22N2O3S/c1-25-17-8-7-15(13-18(17)26-2)21(24)23-11-9-14(10-12-23)20-22-16-5-3-4-6-19(16)27-20/h3-8,13-14H,9-12H2,1-2H3
InChI Key:
VWLYIOIZKYQUHK-UHFFFAOYSA-N
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.135g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.478g/mol
Monoisotopic Mass:
382.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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