Chemical ID: 6038979

CCN(CC)CCCC(C)NC(=O)CCN(CC(C)C)C(=O)c1cnccn1
Chemical ID:
6038979
Name [?]:
N-[2-[(4-diethylamino-1-methyl-butyl)carbamoyl]ethyl]-N-isobutyl-pyrazine-2-carboxamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)CCN(CC(C)C)C(=O)c1cnccn1
InChi [?]:
InChI=1/C21H37N5O2/c1-6-25(7-2)13-8-9-18(5)24-20(27)10-14-26(16-17(3)4)21(28)19-15-22-11-12-23-19/h11-12,15,17-18H,6-10,13-14,16H2,1-5H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,5,19,20,10,2,4,7,8,14,26,27,6,15,24,17,18,9,23,12,21,25,28,11,3,16,13,22/E:(1,2)(3,4)(6,7)/rA:28cCCNCCCCCCCNCOCCNCCCCCOCCNCCN/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;s14;s15;s16;s17;s18;s18;s16;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H37N5O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.9782
Area:654.543
Solvation:-3.38541
Coulombic:-53.8108
Bond Count [?]
All:28
Single:23
Double:5
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:391.551
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.92
LogP (Chemaxon):0.87

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Descriptor Annotations

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