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Chemical ID: 7284334

Chemical ID:

7284334

Name [?]:

4-(2-methoxyphenyl)-2-(4-methoxyphenyl)-thiazole

SMILES [?]:

COc1ccc(cc1)c2nc(cs2)c3ccccc3OC

InChi [?]:

InChI=1/C17H15NO2S/c1-19-13-9-7-12(8-10-13)17-18-15(11-21-17)14-5-3-4-6-16(14)20-2/h3-11H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,16,17,15,18,5,7,4,8,12,6,3,14,11,19,9,10,2,20,13/E:(7,8)(9,10)/rA:21nCOCCCCCCCNCCSCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅NO₂S
All Atoms:	36
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	7.85364
Area:	485.561
Solvation:	-4.28539
Coulombic:	-21.3563

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	297.373
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.22
LogP (Chemaxon):	4.27

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value