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Chemical ID: 5829805
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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Chemical Mix | Source | External ID | Descriptor | Value |
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