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Chemical ID: 6039022
Chemical ID:
6039022
Name [?]:
N-cyclopropyl-N-[2-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]oct-7-yl)carbonyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
CC1(CC2CC(C1)(CN2C(=O)CCN(C3CC3)C(=O)c4cnccn4)C)C
InChi [?]:
InChI=1/C21H30N4O2/c1-20(2)10-16-11-21(3,13-20)14-25(16)18(26)6-9-24(15-4-5-15)19(27)17-12-22-7-8-23-17/h7-8,12,15-16H,4-6,9-11,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,26,16,17,12,23,24,13,3,5,21,7,8,15,4,20,10,18,2,6,22,25,14,9,11,19/E:(1,2)(4,5)/rA:27cCCCCCCCCNCOCCNCCCCOCCNCCNCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4s8;s9;d10;s10;s12;s13;s14;s15;s15s16;s14;d18;s18;s20;d21;s22;d23;d20s24;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30N4O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.7154 |
Area: | 543.699 |
Solvation: | -2.87705 |
Coulombic: | -44.0729 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 370.489 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.44 |
LogP (Chemaxon): | 1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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