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Chemical ID: 6930512

COc1ccc(cc1)C(=O)NN=Cc2ccc(c(c2)OC(=O)c3ccc(cc3)OC)OC

Chemical ID:

6930512

Name [?]:

[2-methoxy-5-[(4-methoxybenzoyl)aminoiminomethyl]phenyl] 4-methoxybenzoate

SMILES [?]:

COc1ccc(cc1)C(=O)NN=Cc2ccc(c(c2)OC(=O)c3ccc(cc3)OC)OC

InChi [?]:

InChI=1/C24H22N2O6/c1-29-19-9-5-17(6-10-19)23(27)26-25-15-16-4-13-21(31-3)22(14-16)32-24(28)18-7-11-20(30-2)12-8-18/h4-15H,1-3H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,30,32,15,5,7,24,28,4,8,25,27,16,19,13,14,6,23,3,26,17,18,9,21,12,11,10,22,2,29,31,20/E:(5,6)(7,8)(9,10)(11,12)/rA:32nCOCCCCCCCONNCCCCCCCOCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;s29;s17;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂N₂O₆
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.65795
Area:	696.123
Solvation:	-7.74512
Coulombic:	-61.4118

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	434.441
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	4.97
LogP (Chemaxon):	3.71

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