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ZINC00882435 2-[5-(4-fluorophenyl)thieno[3,,2-e]pyrimidin-4-yl]sulfany

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摘 要:ZINC00882435 2-[5-(4-fluorophenyl)thieno[3,,2-e]pyrimidin-4-yl]sulfanyl-1-piperidin-1-ylethanone,Canonical SMILES: C1CCN(CC1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)F,InChI: InChI=1/C19H18FN3OS2/c20-14-6-4-13(5-7-14)15-10-25-18-17(15)19(22-12-21-,18)2
[Synonyms]
ZINC00882435
[Structure]
ZINC00882435 2-[5-(4-fluorophenyl)thieno[3,,2-e]pyrimidin-4-yl]sulfany

[ Properties Computed from Structure]
Molecular Weight387.494123 [g/mol]
Molecular FormulaC19H18FN3OS2
XLogP3.4
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass387.087532
MonoIsotopic Mass387.087532
Topological Polar Surface Area46.1
Heavy Atom Count26
Formal Charge0
Complexity483
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-1-piperidin-1-ylethanone
Canonical SMILES: C1CCN(CC1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)F
InChI: InChI=1/C19H18FN3OS2/c20-14-6-4-13(5-7-14)15-10-25-18-17(15)19(22-12-21-
18)26-11-16(24)23-8-2-1-3-9-23/h4-7,10,12H,1-3,8-9,11H2

 
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