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Chemical ID: 7085102
Chemical ID:
7085102
Name [?]:
N-[benzamido-(4-hexoxy-3-methoxy-phenyl)-methyl]benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C28H32N2O4/c1-3-4-5-12-19-34-24-18-17-23(20-25(24)33-2)26(29-27(31)21-13-8-6-9-14-21)30-28(32)22-15-10-7-11-16-22/h6-11,13-18,20,26H,3-5,12,19H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,15,2,3,4,23,32,22,24,31,33,5,21,25,30,34,10,9,6,12,20,29,11,8,13,16,18,27,17,26,19,28,14,7/E:(6,7)(8,9,10,11)(13,14,15,16)(21,22)(27,28)(29,30)(31,32)/gE:(1,2)/rA:34nCCCCCCOCCCCCCOCCNCOCCCCCCNCOCCCCCC/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;s16;s26;d27;s27;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32N2O4 |
All Atoms: | 66 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3295 |
Area: | 757.58 |
Solvation: | -6.60996 |
Coulombic: | -61.6186 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 460.565 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.64 |
LogP (Chemaxon): | 5.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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