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88454-41-5 | 1H-Inden-1-one,2-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2,3-dihydro-
CAS No: 88454-41-5 Catalog No: AG004IN0 MDL No:
Product Description
Catalog Number:
AG004IN0
Chemical Name:
1H-Inden-1-one,2-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2,3-dihydro-
CAS Number:
88454-41-5
Molecular Formula:
C20H17NOS
Molecular Weight:
319.4201
IUPAC Name:
2-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-3H-inden-1-one
InChI:
InChI=1S/C20H17NOS/c1-2-21-17-9-5-6-10-18(17)23-19(21)12-11-15-13-14-7-3-4-8-16(14)20(15)22/h3-12H,2,13H2,1H3
InChI Key:
XZWIBDMQQJWNKK-UHFFFAOYSA-N
SMILES:
CCn1/c(=C/C=C/2\Cc3c(C2=O)cccc3)/sc2c1cccc2
Properties
Complexity:
538
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:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5
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