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Chemical ID: 6038979
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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