Chemical ID: 6038848

CC(C)C(C)NC(=O)CCN(Cc1ccccc1)C(=O)c2cnccn2
Chemical ID:
6038848
Name [?]:
N-benzyl-N-[2-(1,2-dimethylpropylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CC(C)C(C)NC(=O)CCN(Cc1ccccc1)C(=O)c2cnccn2
InChi [?]:
InChI=1/C20H26N4O2/c1-15(2)16(3)23-19(25)9-12-24(14-17-7-5-4-6-8-17)20(26)18-13-21-10-11-22-18/h4-8,10-11,13,15-16H,9,12,14H2,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,5,16,15,17,14,18,9,24,25,10,22,12,2,4,13,21,7,19,23,26,6,11,8,20/E:(1,2)(5,6)(7,8)/rA:26cCCCCCNCOCCNCCCCCCCCOCCNCCN/rB:s1;s2;s2;s4;s4;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:1
ZAP Information [?]
Total:11.382
Area:585.684
Solvation:-3.26009
Coulombic:-50.2078
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:354.446
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.22
LogP (Chemaxon):1.47

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue