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Chemical ID: 6433401

CC(C(=O)NN=Cc1ccc(c(c1)OC)OC)Oc2ccc(cc2)OCc3ccccc3

Chemical ID:

6433401

Name [?]:

2-(4-benzyloxyphenoxy)-N-[(3,4-dimethoxyphenyl)methyleneamino]propanamide

SMILES [?]:

CC(C(=O)NN=Cc1ccc(c(c1)OC)OC)Oc2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C25H26N2O5/c1-18(25(28)27-26-16-20-9-14-23(29-2)24(15-20)30-3)32-22-12-10-21(11-13-22)31-17-19-7-5-4-6-8-19/h4-16,18H,17H2,1-3H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,17,15,30,29,31,28,32,9,21,23,20,24,10,13,7,26,2,27,8,22,19,11,12,3,6,5,4,16,14,25,18/E:(5,6)(7,8)(10,11)(12,13)/rA:32cCCCONNCCCCCCCOCOCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s2;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	7.44492
Area:	707.255
Solvation:	-10.2365
Coulombic:	-48.2764

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	434.484
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.39
LogP (Chemaxon):	4.57

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

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Chemical Mix	Source	External ID	Descriptor	Value