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478256-80-3 | 4-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CAS No: 478256-80-3 Catalog No: AG00IYZA MDL No:MFCD02102791
Product Description
Catalog Number:
AG00IYZA
Chemical Name:
4-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CAS Number:
478256-80-3
Molecular Formula:
C19H18ClN3OS
Molecular Weight:
371.8837
MDL Number:
MFCD02102791
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
InChI:
InChI=1S/C19H18ClN3OS/c20-14-4-3-5-15(12-14)21-19(24)23-10-8-13(9-11-23)18-22-16-6-1-2-7-17(16)25-18/h1-7,12-13H,8-11H2,(H,21,24)
InChI Key:
BTOUQCJGTPREHD-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)NC(=O)N1CCC(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
472
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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