Chemical ID: 7038066

CCCCCCOc1ccc(cc1OC)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
Chemical ID:
7038066
Name [?]:
3-chloro-N-[(3-chlorobenzoyl)amino-(4-hexoxy-3-methoxy-phenyl)-methyl]-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1OC)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C28H30Cl2N2O4/c1-3-4-5-6-15-36-24-14-13-19(18-25(24)35-2)26(31-27(33)20-9-7-11-22(29)16-20)32-28(34)21-10-8-12-23(30)17-21/h7-14,16-18,26H,3-6,15H2,1-2H3,(H,31,33)(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,15,2,3,4,5,22,32,21,31,23,33,10,9,6,25,35,12,11,20,30,24,34,8,13,16,18,28,26,36,17,27,19,29,14,7/E:(7,8)(9,10)(11,12)(16,17)(20,21)(22,23)(27,28)(29,30)(31,32)(33,34)/gE:(1,2)/rA:36nCCCCCCOCCCCCCOCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s16;s27;d28;s28;s30;d31;s32;d33;d30s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H30Cl2N2O4
All Atoms:66
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.8922
Area:827.412
Solvation:-6.79307
Coulombic:-61.1734
Bond Count [?]
All:38
Single:27
Double:11
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:529.454
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:7.89
LogP (Chemaxon):6.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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