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Chemical ID: 7314713

Cc1c(nc(s1)NC(=O)COc2ccc(cc2)C(=O)C)c3ccc(cc3)OC

Chemical ID:

7314713

Name [?]:

2-(4-acetylphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-acetamide

SMILES [?]:

Cc1c(nc(s1)NC(=O)COc2ccc(cc2)C(=O)C)c3ccc(cc3)OC

InChi [?]:

InChI=1/C21H20N2O4S/c1-13(24)15-4-10-18(11-5-15)27-12-19(25)22-21-23-20(14(2)28-21)16-6-8-17(26-3)9-7-16/h4-11H,12H2,1-3H3,(H,22,23,25)

InChi Info:

AuxInfo=1/1/N:20,1,28,14,16,22,26,23,25,13,17,10,18,2,15,21,24,12,8,3,5,7,4,19,9,27,11,6/E:(4,5)(6,7)(8,9)(10,11)/rA:28nCCCNCSNCOCOCCCCCCCOCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s3;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀N₂O₄S
All Atoms:	48
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	8.96516
Area:	636.54
Solvation:	-6.94835
Coulombic:	-48.0983

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	396.461
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.12
LogP (Chemaxon):	3.27

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