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Chemical ID: 6154653

Cc1ccc(c(c1)C(C)(C)C)OCC(=O)Nc2nc(cs2)c3ccc(cc3)Cl

Chemical ID:

6154653

Name [?]:

N-[4-(4-chlorophenyl)thiazol-2-yl]-2-(4-methyl-2-tert-butyl-phenoxy)-acetamide

SMILES [?]:

Cc1ccc(c(c1)C(C)(C)C)OCC(=O)Nc2nc(cs2)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H23ClN2O2S/c1-14-5-10-19(17(11-14)22(2,3)4)27-12-20(26)25-21-24-18(13-28-21)15-6-8-16(23)9-7-15/h5-11,13H,12H2,1-4H3,(H,24,25,26)

InChi Info:

AuxInfo=1/1/N:1,9,10,11,3,23,27,24,26,4,7,13,20,2,22,25,6,19,5,14,17,8,28,18,16,15,12,21/E:(2,3,4)(6,7)(8,9)/rA:28nCCCCCCCCCCCOCCONCNCCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;s8;s5;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃ClN₂O₂S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8325
Area:	643.529
Solvation:	-4.25577
Coulombic:	-36.2186

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	414.949
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.18
LogP (Chemaxon):	6.83

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