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Chemical ID: 4136724

Cc1ccccc1OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4ccc(c(c4)OC)OC

Chemical ID:

4136724

Name [?]:

[1-[[2-(2-methylphenoxy)acetyl]aminoiminomethyl]-2-naphthyl] 3,4-dimethoxybenzoate

SMILES [?]:

Cc1ccccc1OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4ccc(c(c4)OC)OC

InChi [?]:

InChI=1/C29H26N2O6/c1-19-8-4-7-11-24(19)36-18-28(32)31-30-17-23-22-10-6-5-9-20(22)12-14-25(23)37-29(33)21-13-15-26(34-2)27(16-21)35-3/h4-17H,18H2,1-3H3,(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,37,35,4,19,18,5,3,20,17,6,22,29,23,30,33,14,9,2,21,28,16,15,7,24,31,32,10,26,13,12,11,27,36,34,8,25/rA:37nCCCCCCCOCCONNCCCCCCCCCCCOCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;s16;d17;s18;d19;d16s20;s21;d22;d15s23;s24;s25;d26;s26;s28;d29;s30;d31;d28s32;s32;s34;s31;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₆N₂O₆
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	9.27354
Area:	739.388
Solvation:	-9.21116
Coulombic:	-60.5869

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	498.527
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	6.23
LogP (Chemaxon):	5.21

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