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293329-20-1 | 1H-Inden-1-one, 2-(3-ethyl-2(3H)-benzothiazolylidene)-2,3-dihydro-
CAS No: 293329-20-1 Catalog No: AG002Y2T MDL No:
Product Description
Catalog Number:
AG002Y2T
Chemical Name:
1H-Inden-1-one, 2-(3-ethyl-2(3H)-benzothiazolylidene)-2,3-dihydro-
CAS Number:
293329-20-1
Molecular Formula:
C18H15NOS
Molecular Weight:
293.3828
IUPAC Name:
2-(3-ethyl-1,3-benzothiazol-2-ylidene)-3H-inden-1-one
InChI:
InChI=1S/C18H15NOS/c1-2-19-15-9-5-6-10-16(15)21-18(19)14-11-12-7-3-4-8-13(12)17(14)20/h3-10H,2,11H2,1H3
InChI Key:
JJMLIWLLMFGBHX-UHFFFAOYSA-N
SMILES:
CCn1c(=C2Cc3c(C2=O)cccc3)sc2c1cccc2
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.384g/mol
Monoisotopic Mass:
293.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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