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Chemical ID: 4375473
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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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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