Chemical ID: 6215975

Cc1cccc(c1)C(=O)Nc2nc3c(cccc3s2)OC
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

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