Chemical ID: 7220732

Cc1c(cn(n1)CCC(=O)NC2C3CC4CC(C3)CC2C4)Br
Chemical ID:
7220732
Name [?]:
N-(2-adamantyl)-3-(4-bromo-3-methyl-pyrazol-1-yl)-propanamide
SMILES [?]:
Cc1c(cn(n1)CCC(=O)NC2C3CC4CC(C3)CC2C4)Br
InChi [?]:
InChI=1/C17H24BrN3O/c1-10-15(18)9-21(20-10)3-2-16(22)19-17-13-5-11-4-12(7-13)8-14(17)6-11/h9,11-14,17H,2-8H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,8,7,16,14,21,18,19,4,2,15,17,13,20,3,9,12,22,11,6,5,10/E:(5,6,7,8)(11,12)(13,14)/rA:22nCCCCNNCCCONCCCCCCCCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s17;s12s19;s15s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24BrN3O
All Atoms:46
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.6126
Area:510.796
Solvation:-2.15731
Coulombic:-24.9325
Bond Count [?]
All:25
Single:22
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:366.296
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.54
LogP (Chemaxon):2.43

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Descriptor Annotations

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