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Chemical ID: 6644226

CC(C(=O)NN=Cc1ccc(cc1)OCc2ccccc2)Oc3ccc(cc3)c4ccccc4

Chemical ID:

6644226

Name [?]:

N-[(4-benzyloxyphenyl)methyleneamino]-2-(4-phenylphenoxy)-propanamide

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OCc2ccccc2)Oc3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C29H26N2O3/c1-22(34-28-18-14-26(15-19-28)25-10-6-3-7-11-25)29(32)31-30-20-23-12-16-27(17-13-23)33-21-24-8-4-2-5-9-24/h2-20,22H,21H2,1H3,(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,19,32,18,20,31,33,17,21,30,34,9,13,25,27,10,12,24,28,7,15,2,8,16,29,26,11,23,3,6,5,4,14,22/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:34cCCCONNCCCCCCCOCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s2;s22;s23;d24;s25;d26;d23s27;s26;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₆N₂O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	11.6015
Area:	736.369
Solvation:	-6.8077
Coulombic:	-37.9456

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	450.528
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.77
LogP (Chemaxon):	6.76

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