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Chemical ID: 6646523

Cc1ccccc1C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3cccc4c3cccc4

Chemical ID:

6646523

Name [?]:

[4-[2-(1-naphthyloxy)propanoylaminoiminomethyl]phenyl] 2-methylbenzoate

SMILES [?]:

Cc1ccccc1C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3cccc4c3cccc4

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,23,4,33,5,32,27,3,34,28,6,31,26,13,15,12,16,17,2,22,14,29,11,7,30,25,20,8,18,19,21,9,24,10/E:(14,15)(16,17)/rA:34cCCCCCCCCOOCCCCCCCNNCOCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;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:	1

ZAP Information [?]

Total:	11.6711
Area:	701.181
Solvation:	-5.85842
Coulombic:	-49.1499

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

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

Chemical Mix	Source	External ID	Descriptor	Value