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Chemical ID: 6408721

COc1cc(ccc1OCc2cccc3c2cccc3)C=NNC(=O)c4ccc(cc4O)O

Chemical ID:

6408721

Name [?]:

2,4-dihydroxy-N-[[3-methoxy-4-(1-naphthylmethoxy)phenyl]methyleneamino]benzamide

SMILES [?]:

COc1cc(ccc1OCc2cccc3c2cccc3)C=NNC(=O)c4ccc(cc4O)O

InChi [?]:

InChI=1/C26H22N2O5/c1-32-25-13-17(15-27-28-26(31)22-11-10-20(29)14-23(22)30)9-12-24(25)33-16-19-7-4-6-18-5-2-3-8-21(18)19/h2-15,29-30H,16H2,1H3,(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,19,18,13,20,14,12,17,6,28,27,7,4,30,21,10,5,15,11,29,16,26,31,8,3,24,22,23,33,32,25,2,9/rA:33nCOCCCCCCOCCCCCCCCCCCCNNCOCCCCCCOO/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;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂N₂O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	7.98549
Area:	681.113
Solvation:	-9.04233
Coulombic:	-65.7843

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	442.463
H-Bond Donors:	3
H-Bond Acceptors:	7
XLogP:	6.15
LogP (Chemaxon):	5.6

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value