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Chemical ID: 7038066
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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