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66252-21-9 | Benzothiazole, 3-acetyl-2-ethyl-2,3-dihydro-2-phenyl-
CAS No: 66252-21-9 Catalog No: AG006ONS MDL No:
Product Description
Catalog Number:
AG006ONS
Chemical Name:
Benzothiazole, 3-acetyl-2-ethyl-2,3-dihydro-2-phenyl-
CAS Number:
66252-21-9
Molecular Formula:
C17H17NOS
Molecular Weight:
283.3880
IUPAC Name:
1-(2-ethyl-2-phenyl-1,3-benzothiazol-3-yl)ethanone
InChI:
InChI=1S/C17H17NOS/c1-3-17(14-9-5-4-6-10-14)18(13(2)19)15-11-7-8-12-16(15)20-17/h4-12H,3H2,1-2H3
InChI Key:
JZOVTVQIMMMFRT-UHFFFAOYSA-N
SMILES:
CCC1(Sc2c(N1C(=O)C)cccc2)c1ccccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.389g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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