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Chemical ID: 7376550

CCC(=O)c1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)C

Chemical ID:

7376550

Name [?]:

N-[4-[2-[2-(4-propanoylphenoxy)acetyl]aminothiazol-4-yl]phenyl]acetamide

SMILES [?]:

CCC(=O)c1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)C

InChi [?]:

InChI=1/C22H21N3O4S/c1-3-20(27)16-6-10-18(11-7-16)29-12-21(28)25-22-24-19(13-30-22)15-4-8-17(9-5-15)23-14(2)26/h4-11,13H,3,12H2,1-2H3,(H,23,26)(H,24,25,28)

InChi Info:

AuxInfo=1/1/N:1,30,2,22,26,6,10,23,25,7,9,12,19,28,21,5,24,8,18,3,13,16,27,17,15,29,4,14,11,20/E:(4,5)(6,7)(8,9)(10,11)/rA:30nCCCOCCCCCCOCCONCNCCSCCCCCCNCOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;s27;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁N₃O₄S
All Atoms:	51
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0129
Area:	681.686
Solvation:	-7.02927
Coulombic:	-59.8189

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	423.486
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.86
LogP (Chemaxon):	3.48

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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