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Chemical ID: 6217231

c1ccc(cc1)c2ccc(cc2)c3csc(n3)NC(=O)c4cccc(c4)Cl

Chemical ID:

6217231

Name [?]:

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

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)c3csc(n3)NC(=O)c4cccc(c4)Cl

InChi [?]:

InChI=1/C22H15ClN2OS/c23-19-8-4-7-18(13-19)21(26)25-22-24-20(14-27-22)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14H,(H,24,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,23,3,5,22,24,8,12,9,11,26,14,4,7,10,21,25,13,19,16,27,17,18,20,15/E:(2,3)(5,6)(9,10)(11,12)/rA:27nCCCCCCCCCCCCCCSCNNCOCCCCCCCl/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₅ClN₂OS
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8161
Area:	618.767
Solvation:	-2.65309
Coulombic:	-31.401

Bond Count [?]

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

Chemical Properties

Molecular Weight:	390.886
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.39
LogP (Chemaxon):	6.65

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