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Chemical ID: 6266904

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)COc3ccc(cc3)Cl)C

Chemical ID:

6266904

Name [?]:

2-(4-chlorophenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-acetamide

SMILES [?]:

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)COc3ccc(cc3)Cl)C

InChi [?]:

InChI=1/C20H19ClN2O3S/c1-3-25-16-8-4-14(5-9-16)19-13(2)27-20(23-19)22-18(24)12-26-17-10-6-15(21)7-11-17/h4-11H,3,12H2,1-2H3,(H,22,23,24)

InChi Info:

AuxInfo=1/1/N:1,27,2,6,8,22,24,5,9,21,25,18,11,7,23,4,20,16,10,13,26,15,14,17,3,19,12/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCOCCCCCCCCSCNNCOCOCCCCCCClC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉ClN₂O₃S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1385
Area:	634.626
Solvation:	-5.72711
Coulombic:	-41.9818

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	402.895
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.32
LogP (Chemaxon):	4.82

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