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478081-76-4 | 4-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-1-carboxamide
CAS No: 478081-76-4 Catalog No: AG00ISE8 MDL No:MFCD02102787
Product Description
Catalog Number:
AG00ISE8
Chemical Name:
4-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-1-carboxamide
CAS Number:
478081-76-4
Molecular Formula:
C20H21N3OS
Molecular Weight:
351.4652
MDL Number:
MFCD02102787
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-1-carboxamide
InChI:
InChI=1S/C20H21N3OS/c1-14-6-8-16(9-7-14)21-20(24)23-12-10-15(11-13-23)19-22-17-4-2-3-5-18(17)25-19/h2-9,15H,10-13H2,1H3,(H,21,24)
InChI Key:
SHWWZAREOZRFLD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)N1CCC(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.141g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.468g/mol
Monoisotopic Mass:
351.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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