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Chemical ID: 6544828
Chemical ID:
6544828
Name [?]:
N-[bis(3,4-dimethoxyphenyl)methyl]-2-(2-naphthyloxy)acetamide
SMILES [?]:
COc1ccc(cc1OC)C(c2ccc(c(c2)OC)OC)NC(=O)COc3ccc4ccccc4c3
InChi [?]:
InChI=1/C29H29NO6/c1-32-24-13-10-21(16-26(24)34-3)29(22-11-14-25(33-2)27(17-22)35-4)30-28(31)18-36-23-12-9-19-7-5-6-8-20(19)15-23/h5-17,29H,18H2,1-4H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,21,10,19,32,33,31,34,29,5,13,28,4,14,36,7,17,25,30,35,6,12,27,3,15,8,16,23,11,22,24,2,20,9,18,26/E:(1,2)(3,4)(10,11)(13,14)(16,17)(21,22)(24,25)(26,27)(32,33)(34,35)/rA:36nCOCCCCCCOCCCCCCCCOCOCNCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s11;s22;d23;s23;s25;s26;s27;d28;s29;s30;d31;s32;d33;d30s34;d27s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H29NO6 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.91025 |
Area: | 750.638 |
Solvation: | -11.8557 |
Coulombic: | -57.6198 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 487.544 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.33 |
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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