Chemical ID: 4862251

CN1CC(=Cc2ccc(c(c2OC)OC)OC)C(=O)C(=Cc3ccc(c(c3OC)OC)OC)C1
Chemical ID:
4862251
Name [?]:
1-methyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylene]piperidin-4-one
SMILES [?]:
CN1CC(=Cc2ccc(c(c2OC)OC)OC)C(=O)C(=Cc3ccc(c(c3OC)OC)OC)C1
InChi [?]:
InChI=1/C26H31NO7/c1-27-14-18(12-16-8-10-20(29-2)25(33-6)23(16)31-4)22(28)19(15-27)13-17-9-11-21(30-3)26(34-7)24(17)32-5/h8-13H,14-15H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,17,33,13,29,15,31,7,23,8,24,5,21,3,34,6,22,4,20,9,25,18,11,27,10,26,2,19,16,32,12,28,14,30/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(23,24)(25,26)(29,30)(31,32)(33,34)/rA:34nCNCCCCCCCCCOCOCOCCOCCCCCCCCOCOCOCC/rB:s1;s2;s3;w4;s5;s6;d7;s8;d9;d6s10;s11;s12;s10;s14;s9;s16;s4;d18;s18;w20;s21;s22;d23;s24;d25;d22s26;s27;s28;s26;s30;s25;s32;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31NO7
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:7.68836
Area:694.195
Solvation:-9.66651
Coulombic:-59.3736
Bond Count [?]
All:36
Single:27
Double:9
Rotors:8
Chiral:2
Rigid Segments:9
Chemical Properties
Molecular Weight:469.527
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:2.08
LogP (Chemaxon):2.24

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