Chemical ID: 5996864

c1cc(cc(c1)C(F)(F)F)C(=O)N2CCCC2c3nc(no3)c4ccc(cc4)F
Chemical ID:
5996864
Name [?]:
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]-methanone
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)C(=O)N2CCCC2c3nc(no3)c4ccc(cc4)F
InChi [?]:
InChI=1/C20H15F4N3O2/c21-15-8-6-12(7-9-15)17-25-18(29-26-17)16-5-2-10-27(16)19(28)13-3-1-4-14(11-13)20(22,23)24/h1,3-4,6-9,11,16H,2,5,10H2
InChi Info:
AuxInfo=1/0/N:1,15,2,6,16,24,28,25,27,14,4,23,3,5,26,17,20,18,11,7,29,8,9,10,19,21,13,12,22/E:(6,7)(8,9)(22,23,24)/rA:29cCCCCCCCFFFCONCCCCCNCNOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s11;s13;s14;s15;s13s16;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15F4N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.0313
Area:574.116
Solvation:-4.3216
Coulombic:-53.0432
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:405.346
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.11
LogP (Chemaxon):4.51

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue