Chemical ID: 6616983

Cc1c(nc(s1)NC(=O)c2ccc(cc2)F)c3ccc(cc3)F
Chemical ID:
6616983
Name [?]:
4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2)F)c3ccc(cc3)F
InChi [?]:
InChI=1/C17H12F2N2OS/c1-10-15(11-2-6-13(18)7-3-11)20-17(23-10)21-16(22)12-4-8-14(19)9-5-12/h2-9H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,22,11,15,19,21,12,14,2,17,10,20,13,3,8,5,23,16,4,7,9,6/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCCCNCSNCOCCCCCCFCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s3;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12F2N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.71284
Area:508.249
Solvation:-3.99338
Coulombic:-35.7531
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:330.353
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.0
LogP (Chemaxon):4.72

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