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Chemical ID: 7287307

Cc1cccc(c1OCC(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)C)C

Chemical ID:

7287307

Name [?]:

N-[4-(4-acetamidophenyl)thiazol-2-yl]-2-(2,6-dimethylphenoxy)-acetamide

SMILES [?]:

Cc1cccc(c1OCC(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)C)C

InChi [?]:

InChI=1/C21H21N3O3S/c1-13-5-4-6-14(2)20(13)27-11-19(26)24-21-23-18(12-28-21)16-7-9-17(10-8-16)22-15(3)25/h4-10,12H,11H2,1-3H3,(H,22,25)(H,23,24,26)

InChi Info:

AuxInfo=1/1/N:1,28,27,4,3,5,19,23,20,22,9,16,2,6,25,18,21,15,10,7,13,24,14,12,26,11,8,17/E:(1,2)(5,6)(7,8)(9,10)(13,14)/rA:28nCCCCCCCOCCONCNCCSCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁N₃O₃S
All Atoms:	49
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2502
Area:	634.253
Solvation:	-5.60611
Coulombic:	-53.3277

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	395.476
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.22
LogP (Chemaxon):	4.48

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