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Chemical ID: 6154750

Cc1cc(cc(c1Cl)C)OCCCC(=O)Nc2nc(c(s2)C)c3ccccc3

Chemical ID:

6154750

Name [?]:

4-(4-chloro-3,5-dimethyl-phenoxy)-N-(5-methyl-4-phenyl-thiazol-2-yl)-butanamide

SMILES [?]:

Cc1cc(cc(c1Cl)C)OCCCC(=O)Nc2nc(c(s2)C)c3ccccc3

InChi [?]:

InChI=1/C22H23ClN2O2S/c1-14-12-18(13-15(2)20(14)23)27-11-7-10-19(26)24-22-25-21(16(3)28-22)17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,24,25,26)

InChi Info:

AuxInfo=1/1/N:1,9,22,26,25,27,12,24,28,13,11,3,5,2,6,20,23,4,14,7,19,17,8,16,18,15,10,21/E:(1,2)(5,6)(8,9)(12,13)(14,15)/rA:28nCCCCCCCClCOCCCCONCNCCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;s20;s19;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.4049
Area:	658.664
Solvation:	-4.06169
Coulombic:	-34.9814

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	414.949
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.95
LogP (Chemaxon):	6.1

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