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Chemical ID: 6217889
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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