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PB-07228604 2-[5-(4-fluorophenyl)thieno[3,2-e]pyrimidin-4-yl]sulfanyl-

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摘 要:PB-07228604 2-[5-(4-fluorophenyl)thieno[3,2-e]pyrimidin-4-yl]sulfanyl-N,,N-di(propan-2-yl)acetamide,Canonical SMILES: CC(C)N(C(C)C)C(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)F,InChI: InChI=1/C20H22FN3OS2/c1-12(2)24(13(3)4)17(25)10-27-20-18-16(9-26-19(18)
[Synonyms]
PB-07228604
[Structure]
PB-07228604 2-[5-(4-fluorophenyl)thieno[3,2-e]pyrimidin-4-yl]sulfanyl-

[ Properties Computed from Structure]
Molecular Weight403.536583 [g/mol]
Molecular FormulaC20H22FN3OS2
XLogP4.3
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count6
Exact Mass403.118832
MonoIsotopic Mass403.118832
Topological Polar Surface Area46.1
Heavy Atom Count27
Formal Charge0
Complexity492
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[5-(4-fluorophenyl)thieno[3,2-e]pyrimidin-4-yl]sulfanyl-N,
N-di(propan-2-yl)acetamide
Canonical SMILES: CC(C)N(C(C)C)C(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)F
InChI: InChI=1/C20H22FN3OS2/c1-12(2)24(13(3)4)17(25)10-27-20-18-16(9-26-19(18)
22-11-23-20)14-5-7-15(21)8-6-14/h5-9,11-13H,10H2,1-4H3

 
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