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Chemical ID: 6218076

c1ccc(cc1)c2ccc(cc2)c3csc(n3)NC(=O)COc4ccc(cc4)Cl

Chemical ID:

6218076

Name [?]:

2-(4-chlorophenoxy)-N-[4-(4-phenylphenyl)thiazol-2-yl]-acetamide

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)c3csc(n3)NC(=O)COc4ccc(cc4)Cl

InChi [?]:

InChI=1/C23H17ClN2O2S/c24-19-10-12-20(13-11-19)28-14-22(27)26-23-25-21(15-29-23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,15H,14H2,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,8,12,9,11,25,27,24,28,21,14,4,7,10,26,23,13,19,16,29,17,18,20,22,15/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29nCCCCCCCCCCCCCCSCNNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;s13d16;s16;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₇ClN₂O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6294
Area:	663.818
Solvation:	-4.9661
Coulombic:	-36.7973

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	420.912
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.07
LogP (Chemaxon):	6.42

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