Chemical ID: 5938603

CCN(CC)c1nc(cs1)c2cccc(c2)NC(=O)c3cccc(c3)F
Chemical ID:
5938603
Name [?]:
N-[3-(2-diethylaminothiazol-4-yl)phenyl]-3-fluoro-benzamide
SMILES [?]:
CCN(CC)c1nc(cs1)c2cccc(c2)NC(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C20H20FN3OS/c1-3-24(4-2)20-23-18(13-26-20)14-7-6-10-17(12-14)22-19(25)15-8-5-9-16(21)11-15/h5-13H,3-4H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,22,13,12,21,23,14,25,16,9,11,20,24,15,8,18,6,26,17,7,3,19,10/E:(1,2)(3,4)/rA:26nCCNCCCNCCSCCCCCCNCOCCCCCCF/rB:s1;s2;s3;s4;s3;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20FN3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3666
Area:587.641
Solvation:-3.32441
Coulombic:-39.3466
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:369.457
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.04
LogP (Chemaxon):5.53

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