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Chemical ID: 5570328
Chemical ID:
5570328
Name [?]:
N-[4-(3,4-difluorophenyl)thiazol-2-yl]-2-(4-propanoylphenoxy)-acetamide
SMILES [?]:
CCC(=O)c1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(c(c3)F)F
InChi [?]:
InChI=1/C20H16F2N2O3S/c1-2-18(25)12-3-6-14(7-4-12)27-10-19(26)24-20-23-17(11-28-20)13-5-8-15(21)16(22)9-13/h3-9,11H,2,10H2,1H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,22,7,9,23,26,12,19,5,21,8,24,25,18,3,13,16,28,27,17,15,4,14,11,20/E:(3,4)(6,7)/rA:28nCCCOCCCCCCOCCONCNCCSCCCCCCFF/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16F2N2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00103 |
Area: | 615.904 |
Solvation: | -7.39656 |
Coulombic: | -48.2597 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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