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823801-92-9 | Benzothiazole, 3-acetyl-2,3-dihydro-2-[(4-methoxyphenyl)methyl]-
CAS No: 823801-92-9 Catalog No: AG005CWZ MDL No:
Product Description
Catalog Number:
AG005CWZ
Chemical Name:
Benzothiazole, 3-acetyl-2,3-dihydro-2-[(4-methoxyphenyl)methyl]-
CAS Number:
823801-92-9
Molecular Formula:
C17H17NO2S
Molecular Weight:
299.3874
IUPAC Name:
1-[2-[(4-methoxyphenyl)methyl]-2H-1,3-benzothiazol-3-yl]ethanone
InChI:
InChI=1S/C17H17NO2S/c1-12(19)18-15-5-3-4-6-16(15)21-17(18)11-13-7-9-14(20-2)10-8-13/h3-10,17H,11H2,1-2H3
InChI Key:
RPPAEHZTRDGYJQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC1Sc2c(N1C(=O)C)cccc2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.388g/mol
Monoisotopic Mass:
299.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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