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Chemical ID: 3966753
Chemical ID:
3966753
Name [?]:
1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine
SMILES [?]:
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
InChi Info:
AuxInfo=1/0/N:1,23,29,2,6,22,24,28,30,8,3,5,7,21,25,27,31,9,11,15,12,14,16,17,4,20,26,19,10,13,18/E:(2,3)(4,5)(6,7,8,9)(11,12)(14,15,16,17)(19,20)(21,22)(26,27)/rA:31nCCCCCCCCCNCCNCCCCOCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H34N2O |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6546 |
Area: | 706.037 |
Solvation: | -3.9963 |
Coulombic: | -23.2157 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 414.582 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.03 |
LogP (Chemaxon): | 5.84 |
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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