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91506-66-0 | Benzamide, N-2-benzothiazolyl-4-methyl-
CAS No: 91506-66-0 Catalog No: AG0069UC MDL No:
Product Description
Catalog Number:
AG0069UC
Chemical Name:
Benzamide, N-2-benzothiazolyl-4-methyl-
CAS Number:
91506-66-0
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
IUPAC Name:
N-(1,3-benzothiazol-2-yl)-4-methylbenzamide
InChI:
InChI=1S/C15H12N2OS/c1-10-6-8-11(9-7-10)14(18)17-15-16-12-4-2-3-5-13(12)19-15/h2-9H,1H3,(H,16,17,18)
InChI Key:
WAWUISYKAPVPKW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Nc1nc2c(s1)cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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