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313275-08-0 | N-(2-benzamido-1,3-benzothiazol-6-yl)benzamide
CAS No: 313275-08-0 Catalog No: AG01C1TF MDL No:MFCD01930594
Product Description
Catalog Number:
AG01C1TF
Chemical Name:
N-(2-benzamido-1,3-benzothiazol-6-yl)benzamide
CAS Number:
313275-08-0
Molecular Formula:
C21H15N3O2S
Molecular Weight:
373.4277
MDL Number:
MFCD01930594
IUPAC Name:
N-(2-benzamido-1,3-benzothiazol-6-yl)benzamide
InChI:
InChI=1S/C21H15N3O2S/c25-19(14-7-3-1-4-8-14)22-16-11-12-17-18(13-16)27-21(23-17)24-20(26)15-9-5-2-6-10-15/h1-13H,(H,22,25)(H,23,24,26)
InChI Key:
LHDISGXLIKBJQP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc2c(c1)sc(n2)NC(=O)c1ccccc1
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.088g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.43g/mol
Monoisotopic Mass:
373.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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