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Chemical ID: 4148421

Chemical ID:

4148421

Name [?]:

2-(4-methoxyphenoxy)-N-(4-phenylthiazol-2-yl)-acetamide

SMILES [?]:

COc1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccccc3

InChi [?]:

InChI=1/C18H16N2O3S/c1-22-14-7-9-15(10-8-14)23-11-17(21)20-18-19-16(12-24-18)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,20,21)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,20,24,4,8,5,7,10,17,19,3,6,16,11,14,15,13,12,2,9,18/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCOCCCCCCOCCONCNCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₆N₂O₃S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.18504
Area:	560.927
Solvation:	-5.83814
Coulombic:	-41.5891

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	340.397
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.43
LogP (Chemaxon):	3.97

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

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Chemical Mix	Source	External ID	Descriptor	Value