Chemical ID: 6039022

CC1(CC2CC(C1)(CN2C(=O)CCN(C3CC3)C(=O)c4cnccn4)C)C
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

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Descriptor Annotations

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