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Chemical ID: 5938693

c1ccc(c(c1)Nc2nc(cs2)c3ccc(cc3)NC(=O)c4ccc(cc4)F)Cl

Chemical ID:

5938693

Name [?]:

N-[4-[2-(2-chlorophenyl)aminothiazol-4-yl]phenyl]-4-fluoro-benzamide

SMILES [?]:

c1ccc(c(c1)Nc2nc(cs2)c3ccc(cc3)NC(=O)c4ccc(cc4)F)Cl

InChi [?]:

InChI=1/C22H15ClFN3OS/c23-18-3-1-2-4-19(18)26-22-27-20(13-29-22)14-7-11-17(12-8-14)25-21(28)15-5-9-16(24)10-6-15/h1-13H,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:2,1,3,6,23,27,14,18,24,26,15,17,11,13,22,25,16,4,5,10,20,8,29,28,19,7,9,21,12/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCNCNCCSCCCCCCNCOCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₅ClFN₃OS
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2934
Area:	632.741
Solvation:	-3.52512
Coulombic:	-45.4307

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	423.891
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	5.82
LogP (Chemaxon):	6.35

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value