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Chemical ID: 6647300

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3cccc4c3cccc4

Chemical ID:

6647300

Name [?]:

[4-(1-naphthylcarbonylaminoiminomethyl)phenyl] 4-methoxybenzoate

SMILES [?]:

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3cccc4c3cccc4

InChi [?]:

InChI=1/C26H20N2O4/c1-31-21-15-11-20(12-16-21)26(30)32-22-13-9-18(10-14-22)17-27-28-25(29)24-8-4-6-19-5-2-3-7-23(19)24/h2-17H,1H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,31,30,25,32,26,29,24,14,16,5,7,13,17,4,8,18,15,27,6,3,12,28,23,21,9,19,20,22,10,2,11/E:(9,10)(11,12)(13,14)(15,16)/rA:32nCOCCCCCCCOOCCCCCCCNNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;w18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₀N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4373
Area:	663.744
Solvation:	-5.15631
Coulombic:	-49.0572

Bond Count [?]

All:	35
Single:	21
Double:	14
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	424.448
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.68
LogP (Chemaxon):	5.22

Name Annotations

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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