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Chemical ID: 7486347

CC(C(=O)NN=Cc1ccc(cc1)OCc2ccccc2)Oc3ccc4ccccc4c3

Chemical ID:

7486347

Name [?]:

N-[(4-benzyloxyphenyl)methyleneamino]-2-(2-naphthyloxy)propanamide

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OCc2ccccc2)Oc3ccc4ccccc4c3

InChi [?]:

InChI=1/C27H24N2O3/c1-20(32-26-16-13-23-9-5-6-10-24(23)17-26)27(30)29-28-18-21-11-14-25(15-12-21)31-19-22-7-3-2-4-8-22/h2-18,20H,19H2,1H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,19,18,20,28,29,17,21,27,30,9,13,25,10,12,24,32,7,15,2,8,16,26,31,11,23,3,6,5,4,14,22/E:(3,4)(7,8)(11,12)(14,15)/rA:32cCCCONNCCCCCCCOCCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s2;s22;s23;d24;s25;s26;d27;s28;d29;d26s30;d23s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄N₂O₃
All Atoms:	56
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.7156
Area:	694.19
Solvation:	-6.63914
Coulombic:	-37.1918

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	424.491
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.09
LogP (Chemaxon):	6.08

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