Chemical ID: 7215831

Cc1cc(nn1CC(C)C(=O)N2CCCCCC2)C(F)(F)F
Chemical ID:
7215831
Name [?]:
1-azepan-1-yl-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-1-one
SMILES [?]:
Cc1cc(nn1CC(C)C(=O)N2CCCCCC2)C(F)(F)F
InChi [?]:
InChI=1/C15H22F3N3O/c1-11(14(22)20-7-5-3-4-6-8-20)10-21-12(2)9-13(19-21)15(16,17)18/h9,11H,3-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:9,1,15,16,14,17,13,18,3,7,8,2,4,10,19,20,21,22,5,12,6,11/E:(3,4)(5,6)(7,8)(16,17,18)/rA:22cCCCCNNCCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s8;d10;s10;s12;s13;s14;s15;s16;s12s17;s4;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22F3N3O
All Atoms:44
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.04251
Area:477.085
Solvation:-2.88462
Coulombic:-39.7726
Bond Count [?]
All:23
Single:20
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.35
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.66
LogP (Chemaxon):2.65

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