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65576-76-3 | Benzothiazole, 3-acetyl-2,3-dihydro-2-methyl-2-(phenylmethyl)-
CAS No: 65576-76-3 Catalog No: AG006RCX MDL No:
Product Description
Catalog Number:
AG006RCX
Chemical Name:
Benzothiazole, 3-acetyl-2,3-dihydro-2-methyl-2-(phenylmethyl)-
CAS Number:
65576-76-3
Molecular Formula:
C17H17NOS
Molecular Weight:
283.3880
IUPAC Name:
1-(2-benzyl-2-methyl-1,3-benzothiazol-3-yl)ethanone
InChI:
InChI=1S/C17H17NOS/c1-13(19)18-15-10-6-7-11-16(15)20-17(18,2)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChI Key:
ZRPUXTBQNCFHQU-UHFFFAOYSA-N
SMILES:
CC(=O)N1c2ccccc2SC1(C)Cc1ccccc1
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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