Chemical ID: 7163530

CC[NH+]1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)c5ccc(cc5)C
Chemical ID:
7163530
Name [?]:
(4-ethyl-2,3,5,6-tetrahydropyrazin-1-yl)-[3-(p-tolyl)-1-adamantyl]-methanone
SMILES [?]:
CC[NH+]1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)c5ccc(cc5)C
InChi [?]:
InChI=1/C24H34N2O/c1-3-25-8-10-26(11-9-25)22(27)24-15-19-12-20(16-24)14-23(13-19,17-24)21-6-4-18(2)5-7-21/h4-7,19-20H,3,8-17H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,27,2,23,25,22,26,4,8,5,7,14,17,19,16,12,20,24,15,13,21,9,18,11,3,6,10/E:(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)(19,20)/rA:27cCCN+CCNCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H35N2O+
All Atoms:62
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:-18.2866
Area:558.21
Solvation:-32.2418
Coulombic:11.7319
Bond Count [?]
All:31
Single:27
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.548
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.6
LogP (Chemaxon):4.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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