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Chemical ID: 5940090

c1cc(cc(c1)Cl)Nc2nc(cs2)c3ccc(cc3)NC(=O)c4ccc(cc4)F

Chemical ID:

5940090

Name [?]:

N-[4-[2-(3-chlorophenyl)aminothiazol-4-yl]phenyl]-4-fluoro-benzamide

SMILES [?]:

c1cc(cc(c1)Cl)Nc2nc(cs2)c3ccc(cc3)NC(=O)c4ccc(cc4)F

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,6,2,24,28,15,19,25,27,16,18,4,12,14,23,5,26,17,3,11,21,9,7,29,20,8,10,22,13/E:(4,5)(6,7)(8,9)(10,11)/rA:29nCCCCCCClNCNCCSCCCCCCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.3927
Area:	639.069
Solvation:	-3.58402
Coulombic:	-44.8878

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