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Home > Imidazoles > 245744-18-7
245744-18-7 | 4-(6,7-Dihydro-1,3-dimethylbenzo[c]thien-4-yl)-1H-imidazolemaleate
CAS No: 245744-18-7 Catalog No: AG01ENN6 MDL No:
Product Description
Catalog Number:
AG01ENN6
Chemical Name:
4-(6,7-Dihydro-1,3-dimethylbenzo[c]thien-4-yl)-1H-imidazolemaleate
CAS Number:
245744-18-7
Molecular Formula:
C17H18N2O4S
Molecular Weight:
346.4008
IUPAC Name:
(Z)-but-2-enedioic acid;5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole
InChI:
InChI=1S/C13H14N2S.C4H4O4/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8;5-3(6)1-2-4(7)8/h5-7H,3-4H2,1-2H3,(H,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
OPCJPAYHMCWCGW-BTJKTKAUSA-N
SMILES:
Cc1sc(c2c1C(=CCC2)c1c[nH]cn1)C.OC(=O)/C=C\C(=O)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
346.099g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
346.401g/mol
Monoisotopic Mass:
346.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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