Chemical ID: 5829805

CCOc1ccccc1CN2CCN(CC2)C(c3ccccc3)c4ccccc4
Chemical ID:
5829805
Name [?]:
1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine
SMILES [?]:
CCOc1ccccc1CN2CCN(CC2)C(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C26H30N2O/c1-2-29-25-16-10-9-15-24(25)21-27-17-19-28(20-18-27)26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,26H,2,17-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,27,20,22,26,28,7,6,19,23,25,29,8,5,12,16,13,15,10,18,24,9,4,17,11,14,3/E:(3,4)(5,6,7,8)(11,12,13,14)(17,18)(19,20)(22,23)/rA:29nCCOCCCCCCCNCCNCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s17;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30N2O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.1512
Area:626.624
Solvation:-3.51437
Coulombic:-21.8304
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.529
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.04
LogP (Chemaxon):5.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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