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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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Experimental Annotations
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Descriptor Annotations
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