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Chemical ID: 6925296

Cc1cccc(c1)C(=O)NN=C(C)c2ccc(cc2)OCc3ccccc3

Chemical ID:

6925296

Name [?]:

N-[1-(4-benzyloxyphenyl)ethylideneamino]-3-methyl-benzamide

SMILES [?]:

Cc1cccc(c1)C(=O)NN=C(C)c2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C23H22N2O2/c1-17-7-6-10-21(15-17)23(26)25-24-18(2)20-11-13-22(14-12-20)27-16-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,13,25,24,26,4,3,23,27,5,15,19,16,18,7,21,2,12,22,14,6,17,8,11,10,9,20/E:(4,5)(8,9)(11,12)(13,14)/rA:27nCCCCCCCCONNCCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;w11;s12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂N₂O₂
All Atoms:	49
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9627
Area:	618.643
Solvation:	-4.50342
Coulombic:	-29.9482

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	358.433
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.2
LogP (Chemaxon):	4.87

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