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Chemical ID: 6038246

Cc1cnc(cn1)C(=O)N(CCc2ccccc2)CCC(=O)NCc3ccccc3

Chemical ID:

6038246

Name [?]:

N-[2-(benzylcarbamoyl)ethyl]-5-methyl-N-phenethyl-pyrazine-2-carboxamide

SMILES [?]:

Cc1cnc(cn1)C(=O)N(CCc2ccccc2)CCC(=O)NCc3ccccc3

InChi [?]:

InChI=1/C24H26N4O2/c1-19-16-26-22(18-25-19)24(30)28(14-12-20-8-4-2-5-9-20)15-13-23(29)27-17-21-10-6-3-7-11-21/h2-11,16,18H,12-15,17H2,1H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,16,28,15,17,27,29,14,18,26,30,12,20,11,19,3,24,6,2,13,25,5,21,8,7,4,23,10,22,9/E:(4,5)(6,7)(8,9)(10,11)/rA:30nCCCNCCNCONCCCCCCCCCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s10;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₆N₄O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2026
Area:	665.795
Solvation:	-3.44226
Coulombic:	-51.4188

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	402.489
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.86
LogP (Chemaxon):	2.05

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value