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1042-84-8 | Ethanone,2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-phenyl-
CAS No: 1042-84-8 Catalog No: AG007Y8X MDL No:
Product Description
Catalog Number:
AG007Y8X
Chemical Name:
Ethanone,2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-phenyl-
CAS Number:
1042-84-8
Molecular Formula:
C20H15NOS
Molecular Weight:
317.4042
IUPAC Name:
(2Z)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-phenylethanone
InChI:
InChI=1S/C20H15NOS/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/h2-13H,1H3/b19-13-
InChI Key:
JLRFFZDTXCCEFM-UYRXBGFRSA-N
SMILES:
O=C(c1ccccc1)C=c1sc2c(n1C)c1ccccc1cc2
EC Number:
213-870-3
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
317.087g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.406g/mol
Monoisotopic Mass:
317.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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