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Chemical ID: 6215975
Chemical ID:
6215975
Name [?]:
N-(4-methoxybenzothiazol-2-yl)-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2nc3c(cccc3s2)OC
InChi [?]:
InChI=1/C16H14N2O2S/c1-10-5-3-6-11(9-10)15(19)18-16-17-14-12(20-2)7-4-8-13(14)21-16/h3-9H,1-2H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,4,16,3,5,15,17,7,2,6,14,18,13,8,11,12,10,9,20,19/rA:21nCCCCCCCCONCNCCCCCCSOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s14;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64702 |
Area: | 487.457 |
Solvation: | -3.53941 |
Coulombic: | -36.2596 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.361 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.25 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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