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Chemical ID: 7293061
Chemical ID:
7293061
Name [?]:
N-[4-(3,4-difluorophenyl)thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(c(c3)F)F
InChi [?]:
InChI=1/C17H12F2N2O2S/c18-13-7-6-11(8-14(13)19)15-10-24-17(20-15)21-16(22)9-23-12-4-2-1-3-5-12/h1-8,10H,9H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,19,22,8,15,17,4,20,21,14,9,12,24,23,13,11,10,7,16/E:(2,3)(4,5)/rA:24nCCCCCCOCCONCNCCSCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12F2N2O2S |
All Atoms: | 36 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.02338 |
Area: | 535.929 |
Solvation: | -6.37485 |
Coulombic: | -41.4491 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 346.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.83 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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