Chemical ID: 7155076

c1c(n(nc1C(F)(F)F)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5CC5
Chemical ID:
7155076
Name [?]:
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]adamantane-1-carboxamide
SMILES [?]:
c1c(n(nc1C(F)(F)F)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5CC5
InChi [?]:
InChI=1/C21H28F3N3O/c22-21(23,24)18-9-17(16-2-3-16)27(26-18)5-1-4-25-19(28)20-10-13-6-14(11-20)8-15(7-13)12-20/h9,13-16H,1-8,10-12H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:11,27,28,12,10,19,22,24,1,21,17,25,20,18,23,26,2,5,14,16,6,7,8,9,13,4,3,15/E:(2,3)(6,7,8)(10,11,12)(13,14,15)(22,23,24)/rA:28nCCNNCCFFFCCCNCOCCCCCCCCCCCCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;s11;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s20;s22;s18s23;s16s23;s2;s26;s26s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28F3N3O
All Atoms:56
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.6504
Area:591.096
Solvation:-3.12703
Coulombic:-45.6849
Bond Count [?]
All:32
Single:29
Double:3
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:395.462
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.7
LogP (Chemaxon):3.6

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Descriptor Annotations

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