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1356354-09-0 | N-[2-[[3,4-Dihydro-4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]thieno[3,4-d]pyrimidin-2-yl]thio]ethyl]acetamide
CAS No: 1356354-09-0 Catalog No: AG01FHF1 MDL No:
Product Description
Catalog Number:
AG01FHF1
Chemical Name:
N-[2-[[3,4-Dihydro-4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]thieno[3,4-d]pyrimidin-2-yl]thio]ethyl]acetamide
CAS Number:
1356354-09-0
IUPAC Name:
N-[2-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]thieno[3,4-d]pyrimidin-2-yl]sulfanylethyl]acetamide
InChI:
InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25)
InChI Key:
BVRXQXNVDLUWMV-UHFFFAOYSA-N
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.059g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.459g/mol
Monoisotopic Mass:
443.059g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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