Chemical ID: 7038022

CC(C)COc1ccc(cc1OC)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
Chemical ID:
7038022
Name [?]:
3-chloro-N-[(3-chlorobenzoyl)amino-(4-isobutoxy-3-methoxy-phenyl)-methyl]-benzamide
SMILES [?]:
CC(C)COc1ccc(cc1OC)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C26H26Cl2N2O4/c1-16(2)15-34-22-11-10-17(14-23(22)33-3)24(29-25(31)18-6-4-8-20(27)12-18)30-26(32)19-7-5-9-21(28)13-19/h4-14,16,24H,15H2,1-3H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,3,13,20,30,19,29,21,31,8,7,23,33,10,4,2,9,18,28,22,32,6,11,14,16,26,24,34,15,25,17,27,12,5/E:(1,2)(4,5)(6,7)(8,9)(12,13)(18,19)(20,21)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:34nCCCCOCCCCCCOCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s14;s25;d26;s26;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26Cl2N2O4
All Atoms:60
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.5874
Area:772.432
Solvation:-6.7234
Coulombic:-60.57
Bond Count [?]
All:36
Single:25
Double:11
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:501.401
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.48
LogP (Chemaxon):5.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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