Chemical ID: 6217889

CCOc1cccc2c1nc(s2)NC(=O)c3cccc(c3)F
Chemical ID:
6217889
Name [?]:
N-(4-ethoxybenzothiazol-2-yl)-3-fluoro-benzamide
SMILES [?]:
CCOc1cccc2c1nc(s2)NC(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C16H13FN2O2S/c1-2-21-12-7-4-8-13-14(12)18-16(22-13)19-15(20)10-5-3-6-11(17)9-10/h3-9H,2H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,6,17,19,5,7,21,16,20,4,8,9,14,11,22,10,13,15,3,12/rA:22nCCOCCCCCCNCSNCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13FN2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.25547
Area:502.425
Solvation:-4.30515
Coulombic:-39.2414
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.351
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.4
LogP (Chemaxon):4.37

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