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Chemical ID: 5504312
Chemical ID:
5504312
Name [?]:
4-benzyloxy-N-(2,6-diisopropylphenyl)-benzamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)c2ccc(cc2)OCc3ccccc3)C(C)C
InChi [?]:
InChI=1/C26H29NO2/c1-18(2)23-11-8-12-24(19(3)4)25(23)27-26(28)21-13-15-22(16-14-21)29-17-20-9-6-5-7-10-20/h5-16,18-19H,17H2,1-4H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,3,28,29,24,23,25,6,22,26,5,7,14,18,15,17,20,2,27,21,13,16,4,8,9,11,10,12,19/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(18,19)(23,24)/rA:29nCCCCCCCCCNCOCCCCCCOCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;d22;s23;d24;d21s25;s8;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29NO2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6331 |
Area: | 641.562 |
Solvation: | -3.40593 |
Coulombic: | -33.1198 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 387.514 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 7.01 |
LogP (Chemaxon): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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