Chemical ID: 6631633

CC(C)c1ccc(cc1)OCC(=O)NN=Cc2c3ccccc3ccc2OCc4ccc(cc4)F
Chemical ID:
6631633
Name [?]:
N-[[2-[(4-fluorophenyl)methoxy]-1-naphthyl]methyleneamino]-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)NN=Cc2c3ccccc3ccc2OCc4ccc(cc4)F
InChi [?]:
InChI=1/C29H27FN2O3/c1-20(2)22-9-14-25(15-10-22)34-19-29(33)32-31-17-27-26-6-4-3-5-23(26)11-16-28(27)35-18-21-7-12-24(30)13-8-21/h3-17,20H,18-19H2,1-2H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,3,21,20,22,19,30,34,5,9,24,31,33,6,8,25,16,28,11,2,29,4,23,32,7,18,17,26,12,35,15,14,13,10,27/E:(1,2)(7,8)(9,10)(12,13)(14,15)/rA:35nCCCCCCCCCOCCONNCCCCCCCCCCCOCCCCCCCF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;w15;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;d17s25;s26;s27;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H27FN2O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:9.69793
Area:712.765
Solvation:-8.1212
Coulombic:-39.2032
Bond Count [?]
All:38
Single:25
Double:13
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:470.535
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:8.13
LogP (Chemaxon):6.88

Name Annotations

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Descriptor Annotations

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