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Chemical ID: 4536330

CCOc1cc(ccc1OCc2cccc(c2)Cl)C=NNC(=O)COc3ccc(cc3)OC

Chemical ID:

4536330

Name [?]:

N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyleneamino]-2-(4-methoxyphenoxy)-acetamide

SMILES [?]:

CCOc1cc(ccc1OCc2cccc(c2)Cl)C=NNC(=O)COc3ccc(cc3)OC

InChi [?]:

InChI=1/C25H25ClN2O5/c1-3-31-24-14-18(7-12-23(24)33-16-19-5-4-6-20(26)13-19)15-27-28-25(29)17-32-22-10-8-21(30-2)9-11-22/h4-15H,3,16-17H2,1-2H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,33,2,14,13,15,7,28,30,27,31,8,17,5,19,11,24,6,12,16,29,26,9,4,22,18,20,21,23,32,3,25,10/E:(8,9)(10,11)/rA:33nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅ClN₂O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	8.36592
Area:	753.356
Solvation:	-10.468
Coulombic:	-47.5816

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	12
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	468.929
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.91
LogP (Chemaxon):	4.9

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