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ASN 04457874 N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,3-dimethyl-1-ph

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摘 要:ASN 04457874 N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,3-dimethyl-1-phenylthieno[4,,5-d]pyrazole-5-carboxamide,Canonical SMILES: CC1=NN(C2=C1C=C(S2)C(=O)N(C)C3=NC(=CS3)C4=CC=C(C=C4)F)C5=CC=CC=C5,InChI: InChI=1/C23H17FN4OS2/c1-14-18-12-20(31-22(18)28(
[Synonyms]
ASN 04457874
[Structure]
ASN 04457874 N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,3-dimethyl-1-ph

[ Properties Computed from Structure]
Molecular Weight448.535683 [g/mol]
Molecular FormulaC23H17FN4OS2
XLogP4.7
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count4
Exact Mass448.082781
MonoIsotopic Mass448.082781
Topological Polar Surface Area51
Heavy Atom Count31
Formal Charge0
Complexity643
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-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,3-dimethyl-1-phenylthieno[4,
5-d]pyrazole-5-carboxamide
Canonical SMILES: CC1=NN(C2=C1C=C(S2)C(=O)N(C)C3=NC(=CS3)C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI: InChI=1/C23H17FN4OS2/c1-14-18-12-20(31-22(18)28(26-14)17-6-4-3-5-7-17)21
(29)27(2)23-25-19(13-30-23)15-8-10-16(24)11-9-15/h3-13H,1-2H3

 
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