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Chemical ID: 6039260
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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