ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 6038194

Cc1cnc(cn1)C(=O)N(CCC(=O)N2CCOCC2)Cc3ccccc3

Chemical ID:

6038194

Name [?]:

N-benzyl-5-methyl-N-(2-morpholinocarbonylethyl)pyrazine-2-carboxamide

SMILES [?]:

Cc1cnc(cn1)C(=O)N(CCC(=O)N2CCOCC2)Cc3ccccc3

InChi [?]:

InChI=1/C20H24N4O3/c1-16-13-22-18(14-21-16)20(26)24(15-17-5-3-2-4-6-17)8-7-19(25)23-9-11-27-12-10-23/h2-6,13-14H,7-12,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,25,24,26,23,27,12,11,16,20,17,19,3,6,21,2,22,5,13,8,7,4,15,10,14,9,18/E:(3,4)(5,6)(9,10)(11,12)/rA:27nCCCNCCNCONCCCONCCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;s10;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₄O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.7217
Area:	578.843
Solvation:	-4.74938
Coulombic:	-52.1853

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	368.43
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	0.74
LogP (Chemaxon):	-0.08

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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