Chemical ID: 6243999

Cc1ccc(c2c1nc(s2)NC(=O)c3ccco3)Cl
Chemical ID:
6243999
Name [?]:
N-(7-chloro-4-methyl-benzothiazol-2-yl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(c2c1nc(s2)NC(=O)c3ccco3)Cl
InChi [?]:
InChI=1/C13H9ClN2O2S/c1-7-4-5-8(14)11-10(7)15-13(19-11)16-12(17)9-3-2-6-18-9/h2-6H,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,15,3,4,17,2,5,14,7,6,12,9,19,8,11,13,18,10/rA:19nCCCCCCCNCSNCOCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s9;s11;d12;s12;d14;s15;d16;s14s17;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9ClN2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.27741
Area:460.264
Solvation:-2.2292
Coulombic:-36.7571
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.742
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.45
LogP (Chemaxon):4.07

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