Chemical ID: 6007259

c1cc(cc(c1)F)C(=O)N(CC(=O)Nc2nccs2)C3CCCCC3
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

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Descriptor Annotations

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