Chemical ID: 6038326

CCCCN(CCC(=O)NC(C)CCCN(CC)CC)C(=O)c1cnc(cn1)C
Chemical ID:
6038326
Name [?]:
N-butyl-N-[2-[(4-diethylamino-1-methyl-butyl)carbamoyl]ethyl]-5-methyl-pyrazine-2-carboxamide
SMILES [?]:
CCCCN(CCC(=O)NC(C)CCCN(CC)CC)C(=O)c1cnc(cn1)C
InChi [?]:
InChI=1/C22H39N5O2/c1-6-9-14-27(22(29)20-17-23-19(5)16-24-20)15-12-21(28)25-18(4)11-10-13-26(7-2)8-3/h16-18H,6-15H2,1-5H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,18,20,12,29,2,17,19,3,14,13,7,15,4,6,27,24,11,26,23,8,21,25,28,10,16,5,9,22/E:(2,3)(7,8)/rA:29cCCCCNCCCONCCCCCNCCCCCOCCNCCNC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s11;s13;s14;s15;s16;s17;s16;s19;s5;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H39N5O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:14.2508
Area:707.593
Solvation:-3.43898
Coulombic:-53.7713
Bond Count [?]
All:29
Single:24
Double:5
Rotors:16
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:405.578
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.51
LogP (Chemaxon):1.03

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Descriptor Annotations

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