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Chemical ID: 7255207
Chemical ID:
7255207
Name [?]:
4-benzo[1,3]dioxol-5-yl-2-(p-tolyl)thiazole
SMILES [?]:
Cc1ccc(cc1)c2nc(cs2)c3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C17H13NO2S/c1-11-2-4-12(5-3-11)17-18-14(9-21-17)13-6-7-15-16(8-13)20-10-19-15/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,14,15,18,11,20,2,5,13,10,16,17,8,9,21,19,12/E:(2,3)(4,5)/rA:21nCCCCCCCCNCCSCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s17;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13NO2S |
All Atoms: | 34 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32382 |
Area: | 484.372 |
Solvation: | -2.78547 |
Coulombic: | -24.2373 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 295.357 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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