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861208-80-2 | 1-benzoyl-3-(1,3-benzoxazol-6-yl)thiourea
CAS No: 861208-80-2 Catalog No: AG00IXT6 MDL No:MFCD03617948
Product Description
Catalog Number:
AG00IXT6
Chemical Name:
1-benzoyl-3-(1,3-benzoxazol-6-yl)thiourea
CAS Number:
861208-80-2
Molecular Formula:
C15H11N3O2S
Molecular Weight:
297.3317
MDL Number:
MFCD03617948
IUPAC Name:
N-(1,3-benzoxazol-6-ylcarbamothioyl)benzamide
InChI:
InChI=1S/C15H11N3O2S/c19-14(10-4-2-1-3-5-10)18-15(21)17-11-6-7-12-13(8-11)20-9-16-12/h1-9H,(H2,17,18,19,21)
InChI Key:
NBJFZZJRMDBXDG-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1ccccc1)Nc1ccc2c(c1)ocn2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.332g/mol
Monoisotopic Mass:
297.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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