Chemical ID: 4749527

Cc1cc(sc1)c2nc(no2)c3ccc(cc3)C(F)(F)F
Chemical ID:
4749527
Name [?]:
5-(4-methyl-2-thienyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILES [?]:
Cc1cc(sc1)c2nc(no2)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C14H9F3N2OS/c1-8-6-11(21-7-8)13-18-12(19-20-13)9-2-4-10(5-3-9)14(15,16)17/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,17,14,16,3,6,2,12,15,4,9,7,18,19,20,21,8,10,11,5/E:(2,3)(4,5)(15,16,17)/rA:21nCCCCSCCNCNOCCCCCCCFFF/rB:s1;s2;d3;s4;d2s5;s4;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9F3N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.8109
Area:471.866
Solvation:-1.98574
Coulombic:-33.5371
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.295
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.2
LogP (Chemaxon):4.84

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Descriptor Annotations

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