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Chemical ID: 6646579

Cc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc4c3cccc4

Chemical ID:

6646579

Name [?]:

[4-[(4-methylbenzoyl)aminoiminomethyl]phenyl] naphthalene-1-carboxylate

SMILES [?]:

Cc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OC(=O)c3cccc4c3cccc4

InChi [?]:

InChI=1/C26H20N2O3/c1-18-9-13-21(14-10-18)25(29)28-27-17-19-11-15-22(16-12-19)31-26(30)24-8-4-6-20-5-2-3-7-23(20)24/h2-17H,1H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,30,29,24,31,25,28,23,3,7,14,18,4,6,15,17,12,2,13,26,5,16,27,22,8,20,11,10,9,21,19/E:(9,10)(11,12)(13,14)(15,16)/rA:31nCCCCCCCCONNCCCCCCCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₀N₂O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.421
Area:	646.756
Solvation:	-3.74794
Coulombic:	-42.8375

Bond Count [?]

All:	34
Single:	20
Double:	14
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	408.449
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.2
LogP (Chemaxon):	5.94

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