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3600-54-2 | Ethanone, 2-(1-methylnaphtho[1,2-d]thiazol-2(1H)yl)-1-phenyl-
CAS No: 3600-54-2 Catalog No: AG007CP1 MDL No:
Product Description
Catalog Number:
AG007CP1
Chemical Name:
Ethanone, 2-(1-methylnaphtho[1,2-d]thiazol-2(1H)yl)-1-phenyl-
CAS Number:
3600-54-2
Molecular Formula:
C20H17NOS
Molecular Weight:
319.4201
IUPAC Name:
2-(1-methyl-2H-benzo[e][1,3]benzothiazol-2-yl)-1-phenylethanone
InChI:
InChI=1S/C20H17NOS/c1-21-19(13-17(22)15-8-3-2-4-9-15)23-18-12-11-14-7-5-6-10-16(14)20(18)21/h2-12,19H,13H2,1H3
InChI Key:
WWBRXIYQKPPEJC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC1Sc2c(N1C)c1ccccc1cc2
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.422g/mol
Monoisotopic Mass:
319.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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