Chemical ID: 6628658

CC(C)c1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl
Chemical ID:
6628658
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C26H27ClN2O4/c1-18(2)21-7-11-23(12-8-21)32-17-26(30)29-28-15-20-6-13-24(25(14-20)31-3)33-16-19-4-9-22(27)10-5-19/h4-15,18H,16-17H2,1-3H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,3,24,28,32,18,5,9,29,31,6,8,19,22,16,26,11,2,27,17,4,30,7,20,21,12,33,15,14,13,23,10,25/E:(1,2)(4,5)(7,8)(9,10)(11,12)/rA:33nCCCCCCCCCOCCONNCCCCCCCOCOCCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;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:9.58391
Area:754.293
Solvation:-9.27341
Coulombic:-41.6175
Bond Count [?]
All:35
Single:24
Double:11
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:466.956
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.97
LogP (Chemaxon):6.0

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