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Chemical ID: 6650201

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc4ccccc4c3

Chemical ID:

6650201

Name [?]:

[4-[2-(2-naphthyloxy)propanoylaminoiminomethyl]phenyl] 4-methylbenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc4ccccc4c3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,23,30,31,29,32,3,7,13,15,4,6,27,12,16,26,34,17,2,22,14,28,5,33,11,25,20,8,18,19,21,9,24,10/E:(7,8)(9,10)(11,12)(14,15)/rA:34cCCCCCCCCOOCCCCCCCNNCOCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;s22;s24;s25;d26;s27;s28;d29;s30;d31;d28s32;d25s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄N₂O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	12.1192
Area:	718.358
Solvation:	-5.83976
Coulombic:	-49.0054

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:	7.41
LogP (Chemaxon):	6.25

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