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605628-13-5 | Piperidine, 4-(2-benzothiazolyl)-1-[(4-methylphenyl)sulfonyl]- (9CI)
CAS No: 605628-13-5 Catalog No: AG00F81Q MDL No:MFCD02082914
Product Description
Catalog Number:
AG00F81Q
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-[(4-methylphenyl)sulfonyl]- (9CI)
CAS Number:
605628-13-5
Molecular Formula:
C19H20N2O2S2
Molecular Weight:
372.5043
MDL Number:
MFCD02082914
IUPAC Name:
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C19H20N2O2S2/c1-14-6-8-16(9-7-14)25(22,23)21-12-10-15(11-13-21)19-20-17-4-2-3-5-18(17)24-19/h2-9,15H,10-13H2,1H3
InChI Key:
JPBRCLGVBNZIID-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.097g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.501g/mol
Monoisotopic Mass:
372.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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