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Chemical ID: 6616983
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
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Experimental Annotations
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Descriptor Annotations
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