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Chemical ID: 6243999
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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