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Chemical ID: 7022334
Chemical ID:
7022334
Name [?]:
N-[5-diethylamino-5-[(4-ethoxyphenyl)methyleneaminocarbamoyl]pentyl]benzamide
SMILES [?]:
CCN(CC)C(CCCCNC(=O)c1ccccc1)C(=O)NN=Cc2ccc(cc2)OCC
InChi [?]:
InChI=1/C26H36N4O3/c1-4-30(5-2)24(14-10-11-19-27-25(31)22-12-8-7-9-13-22)26(32)29-28-20-21-15-17-23(18-16-21)33-6-3/h7-9,12-13,15-18,20,24H,4-6,10-11,14,19H2,1-3H3,(H,27,31)(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,5,33,2,4,32,17,16,18,8,9,15,19,7,26,30,27,29,10,24,25,14,28,6,12,20,11,23,22,3,13,21,31/E:(1,2)(4,5)(8,9)(12,13)(15,16)(17,18)/rA:33cCCNCCCCCCCNCOCCCCCCCONNCCCCCCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s6;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s28;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H36N4O3 |
All Atoms: | 69 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.6859 |
Area: | 772.249 |
Solvation: | -6.62032 |
Coulombic: | -54.2204 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 16 |
Chiral: | 1 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 452.589 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.02 |
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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