Chemical ID: 7052800

c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4
Chemical ID:
7052800
Name [?]:
pyrrolidin-1-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]-methanone
SMILES [?]:
c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4
InChi [?]:
InChI=1/C19H20F3N3O/c20-19(21,22)17-15-5-1-2-6-16(15)25(23-17)14-9-7-13(8-10-14)18(26)24-11-3-4-12-24/h7-10H,1-6,11-12H2
InChi Info:
AuxInfo=1/0/N:24,25,11,12,23,26,1,5,2,4,10,13,6,3,16,15,17,7,19,20,21,22,18,9,14,8/E:(3,4)(7,8)(9,10)(11,12)(20,21,22)/rA:26nCCCCCCCONCCCCNCCCNCFFFCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s9s12;s3;s14;d15;s16;s14d17;s17;s19;s19;s19;s16;s23;s24;s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20F3N3O
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.23
Area:528.486
Solvation:-2.9821
Coulombic:-41.8539
Bond Count [?]
All:29
Single:23
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:363.377
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.82
LogP (Chemaxon):3.6

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Descriptor Annotations

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