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Chemical ID: 4700225

Chemical ID:

4700225

Name [?]:

ethyl 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylate

SMILES [?]:

CCOC(=O)c1csc(n1)c2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C14H15NO4S/c1-4-19-14(16)10-8-20-13(15-10)9-5-6-11(17-2)12(7-9)18-3/h5-8H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,18,2,12,13,16,7,11,6,14,15,9,4,10,5,19,17,3,8/rA:20nCCOCOCCSCNCCCCCCOCOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₅NO₄S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	7.27692
Area:	497.534
Solvation:	-5.16144
Coulombic:	-40.568

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	293.339
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.38
LogP (Chemaxon):	2.47

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