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478256-82-5 | 4-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
CAS No: 478256-82-5 Catalog No: AG00IVV0 MDL No:MFCD02102792
Product Description
Catalog Number:
AG00IVV0
Chemical Name:
4-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
CAS Number:
478256-82-5
Molecular Formula:
C19H18ClN3OS
Molecular Weight:
371.8837
MDL Number:
MFCD02102792
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
InChI:
InChI=1S/C19H18ClN3OS/c20-14-5-7-15(8-6-14)21-19(24)23-11-9-13(10-12-23)18-22-16-3-1-2-4-17(16)25-18/h1-8,13H,9-12H2,(H,21,24)
InChI Key:
ZBRPEYDFVBLRCA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC(=O)N1CCC(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.086g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.883g/mol
Monoisotopic Mass:
371.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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