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Chemical ID: 5939893
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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Experimental Annotations
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Descriptor Annotations
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