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Chemical ID: 6990377
Chemical ID:
6990377
Name [?]:
2-(3,5-dimethylphenoxy)-N-[5-[2-(3,5-dimethylphenoxy)acetyl]amino-1-naphthyl]-acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2cccc3c2cccc3NC(=O)COc4cc(cc(c4)C)C)C
InChi [?]:
InChI=1/C30H30N2O4/c1-19-11-20(2)14-23(13-19)35-17-29(33)31-27-9-5-8-26-25(27)7-6-10-28(26)32-30(34)18-36-24-15-21(3)12-22(4)16-24/h5-16H,17-18H2,1-4H3,(H,31,33)(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,36,34,35,15,20,19,16,14,21,3,31,7,5,33,29,9,26,2,4,32,30,6,28,18,17,13,22,10,24,12,23,11,25,8,27/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)(17,18)(19,20,21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/gE:(1,2)/rA:36nCCCCCCCOCCONCCCCCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s22;s23;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;s32;s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H30N2O4 |
All Atoms: | 66 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7954 |
Area: | 766.064 |
Solvation: | -7.35621 |
Coulombic: | -57.0524 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 482.57 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.92 |
LogP (Chemaxon): | 6.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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