Chemical ID: 5456515

c1cc(c(cc1c2ccc(o2)C(=O)Nc3nccs3)C(F)(F)F)Cl
Chemical ID:
5456515
Name [?]:
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-thiazol-2-yl-furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1c2ccc(o2)C(=O)Nc3nccs3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C15H8ClF3N2O2S/c16-10-2-1-8(7-9(10)15(17,18)19)11-3-4-12(23-11)13(22)21-14-20-5-6-24-14/h1-7H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,17,18,5,6,4,3,7,10,12,15,20,24,21,22,23,16,14,13,11,19/E:(17,18,19)/rA:24nCCCCCCCCCCOCONCNCCSCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;d12;s12;s14;d15;s16;d17;s15s18;s4;s20;s20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H8ClF3N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.58682
Area:533.89
Solvation:-3.76042
Coulombic:-53.9814
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.75
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.77
LogP (Chemaxon):4.16

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Descriptor Annotations

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