Chemical ID: 7120002

Cc1ccc(cc1C)NC(=O)CC[NH+]2CCN(CC2)c3ccccc3
Chemical ID:
7120002
Name [?]:
N-(3,4-dimethylphenyl)-3-(4-phenyl-2,3,5,6-tetrahydropyrazin-1-yl)-propanamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CC[NH+]2CCN(CC2)c3ccccc3
InChi [?]:
InChI=1/C21H27N3O/c1-17-8-9-19(16-18(17)2)22-21(25)10-11-23-12-14-24(15-13-23)20-6-4-3-5-7-20/h3-9,16H,10-15H2,1-2H3,(H,22,25)/p+1
InChi Info:
AuxInfo=1/1/N:1,8,23,22,24,21,25,3,4,12,13,15,19,16,18,6,2,7,5,20,10,9,14,17,11/E:(4,5)(6,7)(12,13)(14,15)/rA:25nCCCCCCCCNCOCCN+CCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N3O+
All Atoms:53
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-19.2405
Area:574.404
Solvation:-33.6006
Coulombic:4.31925
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:338.467
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.64
LogP (Chemaxon):4.31

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Descriptor Annotations

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