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Chemical ID: 4766156
Chemical ID:
4766156
Name [?]:
2,4-bis(4-methoxyphenyl)thiazole
SMILES [?]:
COc1ccc(cc1)c2csc(n2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C17H15NO2S/c1-19-14-7-3-12(4-8-14)16-11-21-17(18-16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,5,7,15,19,4,8,16,18,10,6,14,3,17,9,12,13,2,20,11/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCOCCCCCCCCSCNCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15NO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.68355 |
Area: | 501.946 |
Solvation: | -3.8651 |
Coulombic: | -22.1186 |
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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