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122945-81-7 | 9H-Thiazolo[3,2-a]thieno[3,2-d]pyrimidine-6-carboxylic acid, 7-methyl-9-oxo-2-phenyl-, ethyl ester
CAS No: 122945-81-7 Catalog No: AG000JTA MDL No:
Product Description
Catalog Number:
AG000JTA
Chemical Name:
9H-Thiazolo[3,2-a]thieno[3,2-d]pyrimidine-6-carboxylic acid, 7-methyl-9-oxo-2-phenyl-, ethyl ester
CAS Number:
122945-81-7
Molecular Formula:
C18H14N2O3S2
Molecular Weight:
370.4454
IUPAC Name:
ethyl 12-methyl-2-oxo-5-phenyl-4,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),5,8,11-tetraene-11-carboxylate
InChI:
InChI=1S/C18H14N2O3S2/c1-3-23-17(22)14-10(2)20-16(21)15-12(19-18(20)25-14)9-13(24-15)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChI Key:
JTVAQQMXXVWXOV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc2n(c1C)c(=O)c1c(n2)cc(s1)c1ccccc1
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.045g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.441g/mol
Monoisotopic Mass:
370.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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