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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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Experimental Annotations
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Descriptor Annotations
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