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Chemical ID: 3856011

Cc1ccc(cc1)OCC(=O)N(CCOC)c2nc(cs2)c3ccc(cc3)OC

Chemical ID:

3856011

Name [?]:

N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-(4-methylphenoxy)-acetamide

SMILES [?]:

Cc1ccc(cc1)OCC(=O)N(CCOC)c2nc(cs2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C22H24N2O4S/c1-16-4-8-19(9-5-16)28-14-21(25)24(12-13-26-2)22-23-20(15-29-22)17-6-10-18(27-3)11-7-17/h4-11,15H,12-14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,16,29,3,7,23,27,4,6,24,26,13,14,9,20,2,22,25,5,19,10,17,18,12,11,15,28,8,21/E:(4,5)(6,7)(8,9)(10,11)/rA:29nCCCCCCCOCCONCCOCCNCCSCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s12;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄N₂O₄S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	7.84046
Area:	645.048
Solvation:	-8.28573
Coulombic:	-43.4992

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	412.503
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.81
LogP (Chemaxon):	4.04

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