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Chemical ID: 6629134

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3ccccc3

Chemical ID:

6629134

Name [?]:

[2-methoxy-4-[(2-phenoxyacetyl)aminoiminomethyl]phenyl] 4-propoxybenzoate

SMILES [?]:

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3ccccc3

InChi [?]:

InChI=1/C26H26N2O6/c1-3-15-32-22-12-10-20(11-13-22)26(30)34-23-14-9-19(16-24(23)31-2)17-27-28-25(29)18-33-21-7-5-4-6-8-21/h4-14,16-17H,3,15,18H2,1-2H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,21,2,32,31,33,30,34,16,7,9,6,10,15,3,18,22,27,17,8,29,5,14,19,25,11,23,24,26,12,20,4,28,13/E:(5,6)(7,8)(10,11)(12,13)/rA:34nCCCOCCCCCCCOOCCCCCCOCCNNCOCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;w22;s23;s24;d25;s25;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₆N₂O₆
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.037
Area:	749.088
Solvation:	-8.69021
Coulombic:	-61.1621

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	13
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	462.495
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	5.52
LogP (Chemaxon):	4.55

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