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Chemical ID: 7292649

Chemical ID:

7292649

Name [?]:

2-(4-ethoxy-3-methoxy-phenyl)-4-[(2-methoxyphenoxy)methyl]thiazole

SMILES [?]:

CCOc1ccc(cc1OC)c2nc(cs2)COc3ccccc3OC

InChi [?]:

InChI=1/C20H21NO4S/c1-4-24-18-10-9-14(11-19(18)23-3)20-21-15(13-26-20)12-25-17-8-6-5-7-16(17)22-2/h5-11,13H,4,12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,26,11,2,22,21,23,20,6,5,8,17,15,7,14,24,19,4,9,12,13,25,10,3,18,16/rA:26nCCOCCCCCCOCCNCCSCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;d12;s13;d14;s12s15;s14;s17;s18;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁NO₄S
All Atoms:	47
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	7.93091
Area:	603.596
Solvation:	-7.15899
Coulombic:	-36.3135

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	371.451
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.71
LogP (Chemaxon):	3.95

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