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Chemical ID: 6646499

c1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc4c3cccc4

Chemical ID:

6646499

Name [?]:

[4-[(2-phenoxyacetyl)aminoiminomethyl]phenyl] naphthalene-1-carboxylate

SMILES [?]:

c1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc4c3cccc4

InChi [?]:

InChI=1/C26H20N2O4/c29-25(18-31-21-9-2-1-3-10-21)28-27-17-19-13-15-22(16-14-19)32-26(30)24-12-6-8-20-7-4-5-11-23(20)24/h1-17H,18H2,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,2,6,31,30,25,32,26,3,5,29,24,15,19,16,18,13,8,14,27,4,17,28,23,9,21,12,11,10,22,7,20/E:(2,3)(9,10)(13,14)(15,16)/rA:32nCCCCCCOCCONNCCCCCCCOCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₀N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7056
Area:	677.586
Solvation:	-6.23408
Coulombic:	-48.2983

Bond Count [?]

All:	35
Single:	21
Double:	14
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	424.448
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.44
LogP (Chemaxon):	5.25

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value