Chemical ID: 6038846

CC(C)CCNC(=O)CCN(Cc1ccccc1)C(=O)c2cnccn2
Chemical ID:
6038846
Name [?]:
N-benzyl-N-[2-(isopentylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CC(C)CCNC(=O)CCN(Cc1ccccc1)C(=O)c2cnccn2
InChi [?]:
InChI=1/C20H26N4O2/c1-16(2)8-10-23-19(25)9-13-24(15-17-6-4-3-5-7-17)20(26)18-14-21-11-12-22-18/h3-7,11-12,14,16H,8-10,13,15H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,17,14,18,4,9,5,24,25,10,22,12,2,13,21,7,19,23,26,6,11,8,20/E:(1,2)(4,5)(6,7)/rA:26nCCCCCNCOCCNCCCCCCCCOCCNCCN/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s11;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6483
Area:597.75
Solvation:-3.29542
Coulombic:-50.3487
Bond Count [?]
All:27
Single:19
Double:8
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:354.446
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.54
LogP (Chemaxon):1.39

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Descriptor Annotations

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