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Chemical ID: 6644153

COc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)c3ccc(cc3)O

Chemical ID:

6644153

Name [?]:

[4-[(4-hydroxybenzoyl)aminoiminomethyl]-2-methoxy-phenyl] benzoate

SMILES [?]:

COc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)c3ccc(cc3)O

InChi [?]:

InChI=1/C22H18N2O5/c1-28-20-13-15(14-23-24-21(26)16-8-10-18(25)11-9-16)7-12-19(20)29-22(27)17-5-3-2-4-6-17/h2-14,25H,1H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,15,14,16,13,17,6,24,28,25,27,7,4,18,5,23,12,26,8,3,21,10,19,20,29,22,11,2,9/E:(3,4)(5,6)(8,9)(10,11)/rA:29nCOCCCCCCOCOCCCCCCCNNCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s5;w18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈N₂O₅
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.38242
Area:	614.479
Solvation:	-5.97956
Coulombic:	-63.9255

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	390.389
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.74
LogP (Chemaxon):	3.94

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