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Chemical ID: 6217236

c1ccc(cc1)c2ccc(cc2)c3csc(n3)NC(=O)c4ccc(cc4)F

Chemical ID:

6217236

Name [?]:

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

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)c3csc(n3)NC(=O)c4ccc(cc4)F

InChi [?]:

InChI=1/C22H15FN2OS/c23-19-12-10-18(11-13-19)21(26)25-22-24-20(14-27-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,24,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,8,12,9,11,22,26,23,25,14,4,7,10,21,24,13,19,16,27,17,18,20,15/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCCCCCCCCSCNNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;s13d16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₅FN₂OS
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1799
Area:	590.011
Solvation:	-3.57041
Coulombic:	-34.1452

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	374.432
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.93
LogP (Chemaxon):	6.27

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value