Chemical ID: 7157144

Cc1c(c(nn1C(C)C(=O)N2CCCCCC2)C(F)(F)F)Cl
Chemical ID:
7157144
Name [?]:
1-azepan-1-yl-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-1-one
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)N2CCCCCC2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C14H19ClF3N3O/c1-9-11(15)12(14(16,17)18)19-21(9)10(2)13(22)20-7-5-3-4-6-8-20/h10H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,14,15,13,16,12,17,2,7,3,4,9,18,22,19,20,21,5,11,6,10/E:(3,4)(5,6)(7,8)(16,17,18)/rA:22cCCCCNNCCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s15;s11s16;s4;s18;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19ClF3N3O
All Atoms:41
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.80577
Area:482.445
Solvation:-3.25536
Coulombic:-40.3723
Bond Count [?]
All:23
Single:20
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.768
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.28
LogP (Chemaxon):2.96

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