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137807-25-1 | 2-Propen-1-one, 2-(2-benzothiazolyl)-3-hydroxy-1,3-diphenyl-
CAS No: 137807-25-1 Catalog No: AG0013VI MDL No:
Product Description
Catalog Number:
AG0013VI
Chemical Name:
2-Propen-1-one, 2-(2-benzothiazolyl)-3-hydroxy-1,3-diphenyl-
CAS Number:
137807-25-1
Molecular Formula:
C22H15NO2S
Molecular Weight:
357.4250
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one
InChI:
InChI=1S/C22H15NO2S/c24-20(15-9-3-1-4-10-15)19(21(25)16-11-5-2-6-12-16)22-23-17-13-7-8-14-18(17)26-22/h1-14,24H
InChI Key:
SUSSSZOENHMAJI-UHFFFAOYSA-N
SMILES:
OC(=C(C(=O)c1ccccc1)c1nc2c(s1)cccc2)c1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.082g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.427g/mol
Monoisotopic Mass:
357.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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