Chemical ID: 5272804

CC(C)NC(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3
Chemical ID:
5272804
Name [?]:
N-isopropyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-benzamide
SMILES [?]:
CC(C)NC(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3
InChi [?]:
InChI=1/C18H20F3N3O/c1-11(2)22-17(25)12-7-9-13(10-8-12)24-15-6-4-3-5-14(15)16(23-24)18(19,20)21/h7-11H,3-6H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,23,24,22,25,8,12,9,11,2,7,10,15,14,16,5,18,19,20,21,4,17,13,6/E:(1,2)(7,8)(9,10)(19,20,21)/rA:25nCCCNCOCCCCCCNCCCNCFFFCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;s13d16;s16;s18;s18;s18;s15;s22;s23;s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20F3N3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.532
Area:532.76
Solvation:-2.78702
Coulombic:-46.7055
Bond Count [?]
All:27
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.366
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.05
LogP (Chemaxon):3.78

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Descriptor Annotations

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