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Chemical ID: 5853810
Chemical ID:
5853810
Name [?]:
N-[4-(4-fluorophenyl)-5-propyl-thiazol-2-yl]-3-methoxy-benzamide
SMILES [?]:
CCCc1c(nc(s1)NC(=O)c2cccc(c2)OC)c3ccc(cc3)F
InChi [?]:
InChI=1/C20H19FN2O2S/c1-3-5-17-18(13-8-10-15(21)11-9-13)22-20(26-17)23-19(24)14-6-4-7-16(12-14)25-2/h4,6-12H,3,5H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,19,2,14,3,13,15,21,25,22,24,17,20,12,23,16,4,5,10,7,26,6,9,11,18,8/E:(8,9)(10,11)/rA:26nCCCCCNCSNCOCCCCCCOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;s5;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19FN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83335 |
Area: | 583.526 |
Solvation: | -4.7548 |
Coulombic: | -39.2389 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 370.442 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.58 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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