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Chemical ID: 6646950

Cc1ccccc1C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc4ccccc4c3

Chemical ID:

6646950

Name [?]:

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

SMILES [?]:

Cc1ccccc1C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc4ccccc4c3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,23,4,30,31,5,3,29,32,6,13,15,27,12,16,26,34,17,2,22,14,28,33,11,25,7,20,8,18,19,21,9,24,10/E:(11,12)(14,15)/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;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:	11.9765
Area:	709.21
Solvation:	-5.75374
Coulombic:	-49.1348

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