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Chemical ID: 7476766

CCCCCCOc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OCc3ccccc3

Chemical ID:

7476766

Name [?]:

N-[(4-benzyloxyphenyl)methyleneamino]-4-hexoxy-benzamide

SMILES [?]:

CCCCCCOc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C27H30N2O3/c1-2-3-4-8-19-31-25-17-13-24(14-18-25)27(30)29-28-20-22-11-15-26(16-12-22)32-21-23-9-6-5-7-10-23/h5-7,9-18,20H,2-4,8,19,21H2,1H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,30,29,31,5,28,32,20,24,10,12,21,23,9,13,6,18,26,19,27,11,8,22,14,17,16,15,7,25/E:(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:32nCCCCCCOCCCCCCCONNCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₀N₂O₃
All Atoms:	62
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.9243
Area:	758.874
Solvation:	-6.04754
Coulombic:	-37.6857

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	13
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	430.539
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	8.02
LogP (Chemaxon):	6.51

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