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Chemical ID: 7328305

CC(=O)c1cccc(c1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)C

Chemical ID:

7328305

Name [?]:

N-[4-[2-[2-(3-acetylphenoxy)acetyl]aminothiazol-4-yl]phenyl]acetamide

SMILES [?]:

CC(=O)c1cccc(c1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)C

InChi [?]:

InChI=1/C21H19N3O4S/c1-13(25)16-4-3-5-18(10-16)28-11-20(27)24-21-23-19(12-29-21)15-6-8-17(9-7-15)22-14(2)26/h3-10,12H,11H2,1-2H3,(H,22,26)(H,23,24,27)

InChi Info:

AuxInfo=1/1/N:1,29,6,5,7,21,25,22,24,9,11,18,2,27,20,4,23,8,17,12,15,26,16,14,3,28,13,10,19/E:(6,7)(8,9)/rA:29nCCOCCCCCCOCCONCNCCSCCCCCCNCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;s26;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₉N₃O₄S
All Atoms:	48
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.06205
Area:	657.278
Solvation:	-7.36989
Coulombic:	-58.9792

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	409.459
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.61
LogP (Chemaxon):	2.85

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