Chemical ID: 4220769

COc1ccc(c(c1)OC)CN2CCN(CC2)C(=O)c3cc(c(c(c3)OC)OC)OC
Chemical ID:
4220769
Name [?]:
[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)-methanone
SMILES [?]:
COc1ccc(c(c1)OC)CN2CCN(CC2)C(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C23H30N2O6/c1-27-18-7-6-16(19(14-18)28-2)15-24-8-10-25(11-9-24)23(26)17-12-20(29-3)22(31-5)21(13-17)30-4/h6-7,12-14H,8-11,15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,10,27,31,29,5,4,13,17,14,16,25,21,8,11,6,20,3,7,24,22,23,18,12,15,19,2,9,26,30,28/E:(3,4)(8,9)(10,11)(12,13)(20,21)(29,30)/rA:31nCOCCCCCCOCCNCCNCCCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s22;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N2O6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:7.12888
Area:659.153
Solvation:-9.34993
Coulombic:-56.6427
Bond Count [?]
All:33
Single:26
Double:7
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:430.494
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:2.1
LogP (Chemaxon):1.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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