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Chemical ID: 6627590

CCCCOc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl

Chemical ID:

6627590

Name [?]:

2-(4-butoxyphenoxy)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]acetamide

SMILES [?]:

CCCCOc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl

InChi [?]:

InChI=1/C26H27ClN2O4/c1-2-3-16-31-23-12-14-25(15-13-23)33-19-26(30)29-28-17-20-6-10-24(11-7-20)32-18-21-4-8-22(27)9-5-21/h4-15,17H,2-3,16,18-19H2,1H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,2,3,28,32,20,24,29,31,21,23,7,11,8,10,4,18,26,13,19,27,30,6,22,9,14,33,17,16,15,5,25,12/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:33nCCCCOCCCCCCOCCONNCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₇ClN₂O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9911
Area:	768.886
Solvation:	-8.23103
Coulombic:	-42.3479

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	13
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	466.956
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	7.19
LogP (Chemaxon):	6.01

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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