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Chemical ID: 7134496
Chemical ID:
7134496
Name [?]:
1-(1-benzyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)-4-(4-pyridylmethyl)-2,3,5,6-tetrahydropyrazine
SMILES [?]:
c1ccc(cc1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)Cc4ccncc4
InChi [?]:
InChI=1/C22H30N4/c1-2-4-20(5-3-1)18-24-12-8-22(9-13-24)26-16-14-25(15-17-26)19-21-6-10-23-11-7-21/h1-7,10-11,22H,8-9,12-19H2/p+3
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,22,26,10,12,23,25,9,13,16,18,15,19,7,20,4,21,11,24,8,17,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:26nCCCCCCCN+CCCCCN+CCN+CCCCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H33N4+3 |
All Atoms: | 59 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -178.236 |
Area: | 581.844 |
Solvation: | -192.782 |
Coulombic: | 200.357 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 353.524 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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