Chemical ID: 7159602

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C(C)n4c(cc(n4)C(F)(F)F)C
Chemical ID:
7159602
Name [?]:
N-[1-(1-adamantyl)butyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propanamide
SMILES [?]:
CCCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C(C)n4c(cc(n4)C(F)(F)F)C
InChi [?]:
InChI=1/C22H32F3N3O/c1-4-5-18(21-10-15-7-16(11-21)9-17(8-15)12-21)26-20(29)14(3)28-13(2)6-19(27-28)22(23,24)25/h6,14-18H,4-5,7-12H2,1-3H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,29,19,2,3,22,8,11,13,10,6,14,21,18,9,7,12,4,23,16,5,25,26,27,28,15,24,20,17/E:(7,8,9)(10,11,12)(15,16,17)(23,24,25)/rA:29cCCCCCCCCCCCCCCNCOCCNCCCNCFFFC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s9;s11;s7s12;s5s12;s4;s15;d16;s16;s18;s18;s20;d21;s22;s20d23;s23;s25;s25;s25;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H32F3N3O
All Atoms:61
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:11.3916
Area:592.013
Solvation:-3.40871
Coulombic:-46.1932
Bond Count [?]
All:32
Single:29
Double:3
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:411.504
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.44
LogP (Chemaxon):4.74

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Descriptor Annotations

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