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Chemical ID: 5802687

COc1cc(ccc1OCc2cccc3c2cccc3)C=NNC(=O)c4ccccc4

Chemical ID:

5802687

Name [?]:

N-[[3-methoxy-4-(1-naphthylmethoxy)phenyl]methyleneamino]benzamide

SMILES [?]:

COc1cc(ccc1OCc2cccc3c2cccc3)C=NNC(=O)c4ccccc4

InChi [?]:

InChI=1/C26H22N2O3/c1-30-25-16-19(17-27-28-26(29)21-9-3-2-4-10-21)14-15-24(25)31-18-22-12-7-11-20-8-5-6-13-23(20)22/h2-17H,18H2,1H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,29,28,30,19,18,13,20,27,31,14,12,17,6,7,4,21,10,5,15,26,11,16,8,3,24,22,23,25,2,9/E:(3,4)(9,10)/rA:31nCOCCCCCCOCCCCCCCCCCCCNNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s5;w21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂N₂O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.77461
Area:	655.342
Solvation:	-6.60893
Coulombic:	-37.1245

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	410.465
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.53
LogP (Chemaxon):	5.52

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