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Chemical ID: 6647088

COc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3ccc(cc3)OC

Chemical ID:

6647088

Name [?]:

[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]aminoiminomethyl]phenyl] 4-methoxybenzoate

SMILES [?]:

COc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3ccc(cc3)OC

InChi [?]:

InChI=1/C25H24N2O7/c1-30-19-7-5-18(6-8-19)25(29)34-22-13-4-17(14-23(22)32-3)15-26-27-24(28)16-33-21-11-9-20(31-2)10-12-21/h4-15H,16H2,1-3H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,34,19,14,5,7,4,8,29,31,28,32,13,16,20,25,15,6,3,30,27,12,17,23,9,21,22,24,10,2,33,18,26,11/E:(5,6)(7,8)(9,10)(11,12)/rA:34nCOCCCCCCCOOCCCCCCOCCNNCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s15;w20;s21;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₂O₇
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	8.1607
Area:	731.575
Solvation:	-10.1287
Coulombic:	-66.4311

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	12
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	464.467
H-Bond Donors:	1
H-Bond Acceptors:	9
XLogP:	4.65
LogP (Chemaxon):	3.49

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