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605628-10-2 | Piperidine, 4-(2-benzothiazolyl)-1-(phenylsulfonyl)- (9CI)
CAS No: 605628-10-2 Catalog No: AG00F81P MDL No:MFCD02082917
Product Description
Catalog Number:
AG00F81P
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-(phenylsulfonyl)- (9CI)
CAS Number:
605628-10-2
Molecular Formula:
C18H18N2O2S2
Molecular Weight:
358.4777
MDL Number:
MFCD02082917
IUPAC Name:
2-[1-(benzenesulfonyl)piperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C18H18N2O2S2/c21-24(22,15-6-2-1-3-7-15)20-12-10-14(11-13-20)18-19-16-8-4-5-9-17(16)23-18/h1-9,14H,10-13H2
InChI Key:
MQHGQKONPHFFPX-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)N1CCC(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.081g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.474g/mol
Monoisotopic Mass:
358.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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