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605628-21-5 | Piperidine, 4-(2-benzothiazolyl)-1-[(4-methoxyphenyl)sulfonyl]- (9CI)
CAS No: 605628-21-5 Catalog No: AG00EI41 MDL No:MFCD02082916
Product Description
Catalog Number:
AG00EI41
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-[(4-methoxyphenyl)sulfonyl]- (9CI)
CAS Number:
605628-21-5
Molecular Formula:
C19H20N2O3S2
Molecular Weight:
388.5037
MDL Number:
MFCD02082916
IUPAC Name:
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C19H20N2O3S2/c1-24-15-6-8-16(9-7-15)26(22,23)21-12-10-14(11-13-21)19-20-17-4-2-3-5-18(17)25-19/h2-9,14H,10-13H2,1H3
InChI Key:
IAJISUCEGQRVNT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.092g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.5g/mol
Monoisotopic Mass:
388.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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