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Chemical ID: 6647416

c1ccc(cc1)CC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4ccccc4

Chemical ID:

6647416

Name [?]:

[1-[(2-phenylacetyl)aminoiminomethyl]-2-naphthyl] benzoate

SMILES [?]:

c1ccc(cc1)CC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4ccccc4

InChi [?]:

InChI=1/C26H20N2O3/c29-25(17-19-9-3-1-4-10-19)28-27-18-23-22-14-8-7-11-20(22)15-16-24(23)31-26(30)21-12-5-2-6-13-21/h1-16,18H,17H2,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,29,2,6,28,30,17,16,3,5,18,27,31,15,20,21,7,12,4,19,26,14,13,22,8,24,11,10,9,25,23/E:(3,4)(5,6)(9,10)(12,13)/rA:31nCCCCCCCCONNCCCCCCCCCCCOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;w11;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;d13s21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.2054
Area:	625.851
Solvation:	-4.44084
Coulombic:	-41.2676

Bond Count [?]

All:	34
Single:	20
Double:	14
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	408.449
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.57
LogP (Chemaxon):	5.59

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