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Chemical ID: 7433214
Chemical ID:
7433214
Name [?]:
3-fluoro-N-[5-phenyl-4-(trifluoromethyl)thiazol-2-yl]-benzamide
SMILES [?]:
c1ccc(cc1)c2c(nc(s2)NC(=O)c3cccc(c3)F)C(F)(F)F
InChi [?]:
InChI=1/C17H10F4N2OS/c18-12-8-4-7-11(9-12)15(24)23-16-22-14(17(19,20)21)13(25-16)10-5-2-1-3-6-10/h1-9H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,3,5,16,18,20,4,15,19,7,8,13,10,22,21,23,24,25,9,12,14,11/E:(2,3)(5,6)(19,20,21)/rA:25nCCCCCCCCNCSNCOCCCCCCFCFFF/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s8;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10F4N2OS |
All Atoms: | 35 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90015 |
Area: | 515.729 |
Solvation: | -3.99309 |
Coulombic: | -51.2503 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 366.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.5 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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