Chemical ID: 4492675

CC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)n3c4c(c(n3)C(F)(F)F)CCCC4
Chemical ID:
4492675
Name [?]:
N-(4-acetylphenyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-benzamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)n3c4c(c(n3)C(F)(F)F)CCCC4
InChi [?]:
InChI=1/C23H20F3N3O2/c1-14(30)15-6-10-17(11-7-15)27-22(31)16-8-12-18(13-9-16)29-20-5-3-2-4-19(20)21(28-29)23(24,25)26/h6-13H,2-5H2,1H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,29,30,28,31,5,9,14,18,6,8,15,17,2,4,13,7,16,21,20,22,11,24,25,26,27,10,23,19,3,12/E:(6,7)(8,9)(10,11)(12,13)(24,25,26)/rA:31nCCOCCCCCCNCOCCCCCCNCCCNCFFFCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;d20;s21;s19d22;s22;s24;s24;s24;s21;s28;s29;s20s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20F3N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.3927
Area:623.402
Solvation:-4.1924
Coulombic:-53.5137
Bond Count [?]
All:34
Single:24
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:427.419
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.57
LogP (Chemaxon):4.49

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Descriptor Annotations

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