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88067-78-1 | 4-Quinolinecarboxamide, N-2-benzothiazolyl-2-phenyl-
CAS No: 88067-78-1 Catalog No: AG004I0C MDL No:
Product Description
Catalog Number:
AG004I0C
Chemical Name:
4-Quinolinecarboxamide, N-2-benzothiazolyl-2-phenyl-
CAS Number:
88067-78-1
Molecular Formula:
C23H15N3OS
Molecular Weight:
381.4497
IUPAC Name:
N-(1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
InChI:
InChI=1S/C23H15N3OS/c27-22(26-23-25-19-12-6-7-13-21(19)28-23)17-14-20(15-8-2-1-3-9-15)24-18-11-5-4-10-16(17)18/h1-14H,(H,25,26,27)
InChI Key:
UPTQIZSIHPGRDU-UHFFFAOYSA-N
SMILES:
O=C(c1cc(nc2c1cccc2)c1ccccc1)Nc1nc2c(s1)cccc2
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.094g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.453g/mol
Monoisotopic Mass:
381.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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