Chemical ID: 6546924

COc1ccc(cc1OC)C(c2ccc(c(c2)OC)OC)NC(=O)COc3cccc4c3cccc4
Chemical ID:
6546924
Name [?]:
N-[bis(3,4-dimethoxyphenyl)methyl]-2-(1-naphthyloxy)acetamide
SMILES [?]:
COc1ccc(cc1OC)C(c2ccc(c(c2)OC)OC)NC(=O)COc3cccc4c3cccc4
InChi [?]:
InChI=1/C29H29NO6/c1-32-24-14-12-20(16-26(24)34-3)29(21-13-15-25(33-2)27(17-21)35-4)30-28(31)18-36-23-11-7-9-19-8-5-6-10-22(19)23/h5-17,29H,18H2,1-4H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,21,10,19,35,34,29,36,30,33,28,5,13,4,14,7,17,25,31,6,12,32,27,3,15,8,16,23,11,22,24,2,20,9,18,26/E:(1,2)(3,4)(12,13)(14,15)(16,17)(20,21)(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;d30;d27s31;s32;d33;s34;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H29NO6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:6.97752
Area:748.377
Solvation:-11.7319
Coulombic:-58.0562
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue