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Chemical ID: 4285389
Chemical ID:
4285389
Name [?]:
4-(p-tolyl)-2-[4-(p-tolyl)thiazol-2-yl]-thiazole
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)c3nc(cs3)c4ccc(cc4)C
InChi [?]:
InChI=1/C20H16N2S2/c1-13-3-7-15(8-4-13)17-11-23-19(21-17)20-22-18(12-24-20)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,3,7,20,22,4,6,19,23,9,16,2,21,5,18,8,15,11,13,12,14,10,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCCCCCCCSCNCNCCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5834 |
Area: | 570.398 |
Solvation: | -1.67654 |
Coulombic: | -15.5544 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.487 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.7 |
LogP (Chemaxon): | 6.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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