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478256-78-9 | 4-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-1-carboxamide
CAS No: 478256-78-9 Catalog No: AG00IVUZ MDL No:MFCD02102790
Product Description
Catalog Number:
AG00IVUZ
Chemical Name:
4-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-1-carboxamide
CAS Number:
478256-78-9
Molecular Formula:
C19H19N3OS
Molecular Weight:
337.4387
MDL Number:
MFCD02102790
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-1-carboxamide
InChI:
InChI=1S/C19H19N3OS/c23-19(20-15-6-2-1-3-7-15)22-12-10-14(11-13-22)18-21-16-8-4-5-9-17(16)24-18/h1-9,14H,10-13H2,(H,20,23)
InChI Key:
RSLFVGMJMZTKFL-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1nc2c(s1)cccc2)Nc1ccccc1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.125g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.441g/mol
Monoisotopic Mass:
337.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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