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Chemical ID: 5498195

CCOc1cc(ccc1O)C=NNC(=O)c2ccc(cc2)COc3ccc4ccccc4c3

Chemical ID:

5498195

Name [?]:

N-[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]-4-(2-naphthyloxymethyl)benzamide

SMILES [?]:

CCOc1cc(ccc1O)C=NNC(=O)c2ccc(cc2)COc3ccc4ccccc4c3

InChi [?]:

InChI=1/C27H24N2O4/c1-2-32-26-15-20(9-14-25(26)30)17-28-29-27(31)22-10-7-19(8-11-22)18-33-24-13-12-21-5-3-4-6-23(21)16-24/h3-17,30H,2,18H2,1H3,(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,2,29,30,28,31,18,20,7,17,21,26,25,8,5,33,11,22,19,6,27,16,32,24,9,4,14,12,13,10,15,3,23/E:(7,8)(10,11)/rA:33nCCOCCCCCCOCNNCOCCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;s27;d28;s29;d30;d27s31;d24s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄N₂O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4003
Area:	701.863
Solvation:	-7.1463
Coulombic:	-52.5599

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	440.491
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.82
LogP (Chemaxon):	5.57

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

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Chemical Mix	Source	External ID	Descriptor	Value