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Oprea1_840225 N-[4-(cyclopropanecarbonylamino)-2,,5-diethoxyphenyl]pyr

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摘 要:Oprea1_840225 N-[4-(cyclopropanecarbonylamino)-2,,5-diethoxyphenyl]pyrazine-2-carboxamide,Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=NC=CN=C2)OCC)NC(=O)C3CC3,InChI: InChI=1/C19H22N4O4/c1-3-26-16-10-14(23-19(25)15-11-20-7-8-21-15)17(27-4-,2)9-13(16)22
[Synonyms]
Oprea1_840225
[Structure]
Oprea1_840225 N-[4-(cyclopropanecarbonylamino)-2,,5-diethoxyphenyl]pyr

[ Properties Computed from Structure]
Molecular Weight370.40238 [g/mol]
Molecular FormulaC19H22N4O4
XLogP0.8
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count8
Tautomer Count4
Exact Mass370.164105
MonoIsotopic Mass370.164105
Topological Polar Surface Area102
Heavy Atom Count27
Formal Charge0
Complexity514
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-(cyclopropanecarbonylamino)-2,
5-diethoxyphenyl]pyrazine-2-carboxamide
Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=NC=CN=C2)OCC)NC(=O)C3CC3
InChI: InChI=1/C19H22N4O4/c1-3-26-16-10-14(23-19(25)15-11-20-7-8-21-15)17(27-4-
2)9-13(16)22-18(24)12-5-6-12/h7-12H,3-6H2,1-2H3,(H,22,24)(H,23,
25)/f/h22-23H

 
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