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Chemical ID: 6646814

Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)Cc3cccc4c3cccc4

Chemical ID:

6646814

Name [?]:

[2-methoxy-4-[[2-(1-naphthyl)acetyl]aminoiminomethyl]phenyl] 4-methylbenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)Cc3cccc4c3cccc4

InChi [?]:

InChI=1/C28H24N2O4/c1-19-10-13-22(14-11-19)28(32)34-25-15-12-20(16-26(25)33-2)18-29-30-27(31)17-23-8-5-7-21-6-3-4-9-24(21)23/h3-16,18H,17H2,1-2H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,18,33,32,27,34,28,26,31,3,7,13,4,6,12,15,24,19,2,14,29,5,25,30,11,16,22,8,20,21,23,9,17,10/E:(10,11)(13,14)/rA:34nCCCCCCCCOOCCCCCCOCCNNCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;w19;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;d31;s32;s29d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄N₂O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6913
Area:	713.561
Solvation:	-6.14766
Coulombic:	-47.4952

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	452.501
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.66
LogP (Chemaxon):	5.8

Name Annotations

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

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