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Chemical ID: 4136718

c1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3cccc(c3)OCc4ccccc4

Chemical ID:

4136718

Name [?]:

4-benzyloxy-N-[(3-benzyloxyphenyl)methyleneamino]benzamide

SMILES [?]:

c1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3cccc(c3)OCc4ccccc4

InChi [?]:

InChI=1/C28H24N2O3/c31-28(25-14-16-26(17-15-25)32-20-22-8-3-1-4-9-22)30-29-19-24-12-7-13-27(18-24)33-21-23-10-5-2-6-11-23/h1-19H,20-21H2,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,31,2,6,30,32,22,3,5,29,33,21,23,11,13,10,14,25,19,7,27,4,28,20,12,9,24,15,18,17,16,8,26/E:(3,4)(5,6)(8,9)(10,11)(14,15)(16,17)/rA:33nCCCCCCCOCCCCCCCONNCCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s24;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄N₂O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7052
Area:	712.946
Solvation:	-6.11843
Coulombic:	-38.2756

Bond Count [?]

All:	36
Single:	22
Double:	14
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	436.502
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.24
LogP (Chemaxon):	6.29

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