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Chemical ID: 7155076
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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