Chemical ID: 6039260

CCCCCN(CCC(=O)NC(C)CCCN(CC)CC)C(=O)c1cnccn1
Chemical ID:
6039260
Name [?]:
N-[2-[(4-diethylamino-1-methyl-butyl)carbamoyl]ethyl]-N-pentyl-pyrazine-2-carboxamide
SMILES [?]:
CCCCCN(CCC(=O)NC(C)CCCN(CC)CC)C(=O)c1cnccn1
InChi [?]:
InChI=1/C22H39N5O2/c1-5-8-9-16-27(22(29)20-18-23-13-14-24-20)17-12-21(28)25-19(4)11-10-15-26(6-2)7-3/h13-14,18-19H,5-12,15-17H2,1-4H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,19,21,13,2,18,20,3,4,15,14,8,27,28,16,5,7,25,12,24,9,22,26,29,11,17,6,10,23/E:(2,3)(6,7)/rA:29cCCCCCNCCCONCCCCCNCCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s12;s14;s15;s16;s17;s18;s17;s20;s6;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H39N5O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:14.2096
Area:709.01
Solvation:-3.51568
Coulombic:-54.1267
Bond Count [?]
All:29
Single:24
Double:5
Rotors:17
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:405.578
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.76
LogP (Chemaxon):1.26

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Descriptor Annotations

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