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Chemical ID: 7364858

Chemical ID:

7364858

Name [?]:

3,5-dimethoxy-N-(1-naphthylmethyleneamino)benzamide

SMILES [?]:

COc1cc(cc(c1)OC)C(=O)NN=Cc2cccc3c2cccc3

InChi [?]:

InChI=1/C20H18N2O3/c1-24-17-10-16(11-18(12-17)25-2)20(23)22-21-13-15-8-5-7-14-6-3-4-9-19(14)15/h3-13H,1-2H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,10,24,23,18,25,19,17,22,4,6,8,15,20,16,5,3,7,21,11,14,13,12,2,9/E:(1,2)(10,11)(17,18)(24,25)/rA:25nCOCCCCCCOCCONNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₈N₂O₃
All Atoms:	43
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	7.89329
Area:	547.586
Solvation:	-5.79635
Coulombic:	-34.4089

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	334.369
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.09
LogP (Chemaxon):	3.74

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