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Chemical ID: 6007259
Chemical ID:
6007259
Name [?]:
N-cyclohexyl-3-fluoro-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)N(CC(=O)Nc2nccs2)C3CCCCC3
InChi [?]:
InChI=1/C18H20FN3O2S/c19-14-6-4-5-13(11-14)17(24)22(15-7-2-1-3-8-15)12-16(23)21-18-20-9-10-25-18/h4-6,9-11,15H,1-3,7-8,12H2,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:23,22,24,1,2,6,21,25,17,18,4,11,3,5,20,12,8,15,7,16,14,10,13,9,19/E:(2,3)(7,8)/rA:25nCCCCCCFCONCCONCNCCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s10;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20FN3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72265 |
Area: | 528.849 |
Solvation: | -4.49858 |
Coulombic: | -46.7831 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.87 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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