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Chemical ID: 6366527
Chemical ID:
6366527
Name [?]:
N-[4-(4-ethylphenyl)thiazol-2-yl]-3-(4-fluorophenyl)-prop-2-enamide
SMILES [?]:
CCc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)F
InChi [?]:
InChI=1/C20H17FN2OS/c1-2-14-3-8-16(9-4-14)18-13-25-20(22-18)23-19(24)12-7-15-5-10-17(21)11-6-15/h3-13H,2H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,20,24,18,5,7,21,23,17,10,3,19,6,22,9,15,12,25,13,14,16,11/E:(3,4)(5,6)(8,9)(10,11)/rA:25nCCCCCCCCCCSCNNCOCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17FN2OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4512 |
Area: | 557.604 |
Solvation: | -3.48887 |
Coulombic: | -32.8626 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.16 |
LogP (Chemaxon): | 6.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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