Chemical ID: 4375473

CCOc1cc(ccc1OC)CN2CCN(CC2)Cc3ccc(c(c3)OC)OC
Chemical ID:
4375473
Name [?]:
1-[(3,4-dimethoxyphenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine
SMILES [?]:
CCOc1cc(ccc1OC)CN2CCN(CC2)Cc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C23H32N2O4/c1-5-29-23-15-19(7-9-21(23)27-3)17-25-12-10-24(11-13-25)16-18-6-8-20(26-2)22(14-18)28-4/h6-9,14-15H,5,10-13,16-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,11,27,2,21,7,22,8,15,17,14,18,25,5,19,12,20,6,23,9,24,4,16,13,28,10,26,3/E:(10,11)(12,13)/rA:29nCCOCCCCCCOCCNCCNCCCCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.48323
Area:649.434
Solvation:-8.75263
Coulombic:-38.356
Bond Count [?]
All:31
Single:25
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:400.511
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.67
LogP (Chemaxon):2.84

Name Annotations

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Descriptor Annotations

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