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CBKinase1_011490,CBKinase1_023890, N-(4-ethoxyphenyl)-2-(5-naphthalen-

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摘 要:CBKinase1_011490,CBKinase1_023890, N-(4-ethoxyphenyl)-2-(5-naphthalen-2-yl-4-oxothieno[2,,3-d]pyrimidin-3-yl)acetamide,Canonical SMILES: CCOC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC5=CC=CC=C5C=C4,InChI: InChI=1/C26H21N3O3S/c1-2-32-21-11-9-20(10
[Synonyms]
CBKinase1_011490
CBKinase1_023890

[Structure]
CBKinase1_011490,CBKinase1_023890, N-(4-ethoxyphenyl)-2-(5-naphthalen-

[ Properties Computed from Structure]
Molecular Weight455.52824 [g/mol]
Molecular FormulaC26H21N3O3S
XLogP4.4
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count2
Exact Mass455.130362
MonoIsotopic Mass455.130362
Topological Polar Surface Area71
Heavy Atom Count33
Formal Charge0
Complexity738
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-ethoxyphenyl)-2-(5-naphthalen-2-yl-4-oxothieno[2,
3-d]pyrimidin-3-yl)acetamide
Canonical SMILES: CCOC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1/C26H21N3O3S/c1-2-32-21-11-9-20(10-12-21)28-23(30)14-29-16-27-25-
24(26(29)31)22(15-33-25)19-8-7-17-5-3-4-6-18(17)13-19/h3-13,15-16H,2,
14H2,1H3,(H,28,30)/f/h28H

 
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