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Chemical ID: 6644335

c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc4ccccc4c3

Chemical ID:

6644335

Name [?]:

[4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] benzoate

SMILES [?]:

c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc4ccccc4c3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,6,28,29,27,3,5,30,12,14,25,11,15,24,32,16,21,13,26,4,31,10,23,19,7,17,18,20,8,22,9/E:(2,3)(7,8)(10,11)(13,14)/rA:32nCCCCCCCOOCCCCCCCNNCOCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s22;s23;d24;s25;s26;d27;s28;d29;d26s30;d23s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.7854
Area:	688.225
Solvation:	-6.42019
Coulombic:	-47.9762

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value