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Chemical ID: 6217323

Chemical ID:

6217323

Name [?]:

4-fluoro-N-[4-(4-fluorophenyl)thiazol-2-yl]-benzamide

SMILES [?]:

c1cc(ccc1c2csc(n2)NC(=O)c3ccc(cc3)F)F

InChi [?]:

InChI=1/C16H10F2N2OS/c17-12-5-1-10(2-6-12)14-9-22-16(19-14)20-15(21)11-3-7-13(18)8-4-11/h1-9H,(H,19,20,21)

InChi Info:

AuxInfo=1/1/N:1,5,16,20,2,4,17,19,8,6,15,3,18,7,13,10,22,21,11,12,14,9/E:(1,2)(3,4)(5,6)(7,8)/rA:22nCCCCCCCCSCNNCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₀F₂N₂OS
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.17695
Area:	491.274
Solvation:	-4.10489
Coulombic:	-35.5479

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	316.326
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.15
LogP (Chemaxon):	4.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value