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605627-99-4 | Piperidine, 4-(2-benzothiazolyl)-1-(3,5-dimethoxybenzoyl)- (9CI)
CAS No: 605627-99-4 Catalog No: AG00EHTI MDL No:
Product Description
Catalog Number:
AG00EHTI
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-(3,5-dimethoxybenzoyl)- (9CI)
CAS Number:
605627-99-4
IUPAC Name:
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
InChI:
InChI=1S/C21H22N2O3S/c1-25-16-11-15(12-17(13-16)26-2)21(24)23-9-7-14(8-10-23)20-22-18-5-3-4-6-19(18)27-20/h3-6,11-14H,7-10H2,1-2H3
InChI Key:
ZAHVVXPPIJJBOB-UHFFFAOYSA-N
Properties
Complexity:
500
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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