Chemical ID: 7052801

c1cc(ccc1C(=O)N2CCCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4
Chemical ID:
7052801
Name [?]:
1-piperidyl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]-methanone
SMILES [?]:
c1cc(ccc1C(=O)N2CCCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4
InChi [?]:
InChI=1/C20H22F3N3O/c21-20(22,23)18-16-6-2-3-7-17(16)26(24-18)15-10-8-14(9-11-15)19(27)25-12-4-1-5-13-25/h8-11H,1-7,12-13H2
InChi Info:
AuxInfo=1/0/N:12,25,26,11,13,24,27,1,5,2,4,10,14,6,3,17,16,18,7,20,21,22,23,19,9,15,8/E:(4,5)(8,9)(10,11)(12,13)(21,22,23)/rA:27nCCCCCCCONCCCCCNCCCNCFFFCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s3;s15;d16;s17;s15d18;s18;s20;s20;s20;s17;s24;s25;s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22F3N3O
All Atoms:49
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8086
Area:545.505
Solvation:-2.82907
Coulombic:-42.2725
Bond Count [?]
All:30
Single:24
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.404
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.17
LogP (Chemaxon):3.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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