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Chemical ID: 4429813
Chemical ID:
4429813
Name [?]:
N-[4-(4-methoxy-3-methyl-phenyl)thiazol-2-yl]benzamide
SMILES [?]:
Cc1cc(ccc1OC)c2csc(n2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C18H16N2O2S/c1-12-10-14(8-9-16(12)22-2)15-11-23-18(19-15)20-17(21)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,9,21,20,22,19,23,5,6,3,11,2,18,4,10,7,16,13,14,15,17,8,12/E:(4,5)(6,7)/rA:23nCCCCCCCOCCCSCNNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.71456 |
Area: | 531.61 |
Solvation: | -3.5757 |
Coulombic: | -36.1909 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.398 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.97 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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