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STK263779,ZINC02409645,NCGC00101401-01,BAS 07007938,[4-(3-Methyl-4-oxo

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摘 要:STK263779,ZINC02409645,NCGC00101401-01,BAS 07007938,[4-(3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzoylamino]-acetic acid ethyl, ethyl 2-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]acetate,Canonical SMILES: CCOC(=O)CNC(=O)C1=CC=C(C=C1)C2=NN(
[Synonyms]
STK263779
ZINC02409645
NCGC00101401-01
BAS 07007938
[4-(3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-benzoylamino]-acetic acid ethyl

[Structure]
STK263779,ZINC02409645,NCGC00101401-01,BAS 07007938,[4-(3-Methyl-4-oxo

[ Properties Computed from Structure]
Molecular Weight365.38256 [g/mol]
Molecular FormulaC20H19N3O4
XLogP3.3
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count2
Exact Mass365.137556
MonoIsotopic Mass365.137556
Topological Polar Surface Area88.1
Heavy Atom Count27
Formal Charge0
Complexity610
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: ethyl 2-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]acetate
Canonical SMILES: CCOC(=O)CNC(=O)C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C
InChI: InChI=1/C20H19N3O4/c1-3-27-17(24)12-21-19(25)14-10-8-13(9-11-14)18-15-6-
4-5-7-16(15)20(26)23(2)22-18/h4-11H,3,12H2,1-2H3,(H,21,25)/f/h21H

 
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