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ZINC00882448,ASN 03575275, N-cyclohexyl-2-[5-(4-fluorophenyl)thieno[3,

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摘 要:ZINC00882448,ASN 03575275, N-cyclohexyl-2-[5-(4-fluorophenyl)thieno[3,,2-e]pyrimidin-4-yl]sulfanylacetamide,Canonical SMILES: C1CCC(CC1)NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)F,InChI: InChI=1/C20H20FN3OS2/c21-14-8-6-13(7-9-14)16-10-26-19-18(16)20(23
[Synonyms]
ZINC00882448
ASN 03575275

[Structure]
ZINC00882448,ASN 03575275, N-cyclohexyl-2-[5-(4-fluorophenyl)thieno[3,

[ Properties Computed from Structure]
Molecular Weight401.520703 [g/mol]
Molecular FormulaC20H20FN3OS2
XLogP4.2
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count2
Exact Mass401.103182
MonoIsotopic Mass401.103182
Topological Polar Surface Area54.9
Heavy Atom Count27
Formal Charge0
Complexity498
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: N-cyclohexyl-2-[5-(4-fluorophenyl)thieno[3,
2-e]pyrimidin-4-yl]sulfanylacetamide
Canonical SMILES: C1CCC(CC1)NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)F
InChI: InChI=1/C20H20FN3OS2/c21-14-8-6-13(7-9-14)16-10-26-19-18(16)20(23-12-22-
19)27-11-17(25)24-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11H2,(H,24,25)/f/h24H

 
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