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Chemical ID: 6843410
Chemical ID:
6843410
Name [?]:
4-[(2,6-diethylphenyl)carbamoylmethoxy]-N-(2-ethoxyphenyl)-benzamide
SMILES [?]:
CCc1cccc(c1NC(=O)COc2ccc(cc2)C(=O)Nc3ccccc3OCC)CC
InChi [?]:
InChI=1/C27H30N2O4/c1-4-19-10-9-11-20(5-2)26(19)29-25(30)18-33-22-16-14-21(15-17-22)27(31)28-23-12-7-8-13-24(23)32-6-3/h7-17H,4-6,18H2,1-3H3,(H,28,31)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,33,31,2,32,30,25,26,5,4,6,24,27,16,18,15,19,12,3,7,17,14,23,28,10,8,20,22,9,11,21,29,13/E:(1,2)(4,5)(10,11)(14,15)(16,17)(19,20)/rA:33nCCCCCCCCNCOCOCCCCCCCONCCCCCCOCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s29;s30;s7;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N2O4 |
All Atoms: | 63 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8791 |
Area: | 720.094 |
Solvation: | -6.12328 |
Coulombic: | -58.8181 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 446.538 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.36 |
LogP (Chemaxon): | 4.45 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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