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Home > Fluorides > 302575-63-9
302575-63-9 | 2-(5,6,7,8-Tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(3-trifluoromethyl-phenyl)-acetamide
CAS No: 302575-63-9 Catalog No: AG01EURZ MDL No:
Product Description
Catalog Number:
AG01EURZ
Chemical Name:
2-(5,6,7,8-Tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(3-trifluoromethyl-phenyl)-acetamide
CAS Number:
302575-63-9
Molecular Formula:
C19H16F3N3OS2
Molecular Weight:
423.4750
IUPAC Name:
2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C19H16F3N3OS2/c20-19(21,22)11-4-3-5-12(8-11)25-15(26)9-27-17-16-13-6-1-2-7-14(13)28-18(16)24-10-23-17/h3-5,8,10H,1-2,6-7,9H2,(H,25,26)
InChI Key:
VLQAGTVPIKBFIU-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)C(F)(F)F)CSc1ncnc2c1c1CCCCc1s2
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.069g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.472g/mol
Monoisotopic Mass:
423.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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