Chemical ID: 5939893

CCN(CC)c1nc(cs1)c2ccc(cc2)NC(=O)c3cccc(c3)F
Chemical ID:
5939893
Name [?]:
N-[4-(2-diethylaminothiazol-4-yl)phenyl]-3-fluoro-benzamide
SMILES [?]:
CCN(CC)c1nc(cs1)c2ccc(cc2)NC(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C20H20FN3OS/c1-3-24(4-2)20-23-18(13-26-20)14-8-10-17(11-9-14)22-19(25)15-6-5-7-16(21)12-15/h5-13H,3-4H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,22,21,23,12,16,13,15,25,9,11,20,24,14,8,18,6,26,17,7,3,19,10/E:(1,2)(3,4)(8,9)(10,11)/rA:26nCCNCCCNCCSCCCCCCNCOCCCCCCF/rB:s1;s2;s3;s4;s3;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s14;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:11.2367
Area:590.944
Solvation:-3.53689
Coulombic:-39.1385
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

Name Annotations

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Descriptor Annotations

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