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Chemical ID: 5940132

c1cc(cc(c1)NC(=O)c2ccc(cc2)Cl)c3csc(n3)Nc4cccc(c4)Cl

Chemical ID:

5940132

Name [?]:

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

SMILES [?]:

c1cc(cc(c1)NC(=O)c2ccc(cc2)Cl)c3csc(n3)Nc4cccc(c4)Cl

InChi [?]:

InChI=1/C22H15Cl2N3OS/c23-16-9-7-14(8-10-16)21(28)25-18-5-1-3-15(11-18)20-13-29-22(27-20)26-19-6-2-4-17(24)12-19/h1-13H,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,25,2,26,6,24,11,15,12,14,4,28,18,10,3,13,27,5,23,17,8,20,16,29,7,22,21,9,19/E:(7,8)(9,10)/rA:29nCCCCCCNCOCCCCCCClCCSCNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s3;d17;s18;s19;s17d20;s20;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₅Cl₂N₃OS
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.6985
Area:	662.943
Solvation:	-2.87509
Coulombic:	-42.0255

Bond Count [?]

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

Chemical Properties

Molecular Weight:	440.346
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	6.28
LogP (Chemaxon):	6.73

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