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1020252-55-4 | 4-methyl-N-(5-methyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CAS No: 1020252-55-4 Catalog No: AG00ITCX MDL No:MFCD00170702
Product Description
Catalog Number:
AG00ITCX
Chemical Name:
4-methyl-N-(5-methyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CAS Number:
1020252-55-4
Molecular Formula:
C16H16N2O2S
Molecular Weight:
300.3754
MDL Number:
MFCD00170702
IUPAC Name:
4-methyl-N-(5-methyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
InChI:
InChI=1S/C16H16N2O2S/c1-9-3-5-11(6-4-9)15(20)18-16-17-12-7-10(2)8-13(19)14(12)21-16/h3-6,10H,7-8H2,1-2H3,(H,17,18,20)
InChI Key:
KZNFGUVIIVAKAW-UHFFFAOYSA-N
SMILES:
CC1CC(=O)c2c(C1)nc(s2)NC(=O)c1ccc(cc1)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.376g/mol
Monoisotopic Mass:
300.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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