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Chemical ID: 7377208
Chemical ID:
7377208
Name [?]:
N-[4-(3,4-difluorophenyl)thiazol-2-yl]-2-(4-methoxyphenoxy)-acetamide
SMILES [?]:
COc1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(c(c3)F)F
InChi [?]:
InChI=1/C18H14F2N2O3S/c1-24-12-3-5-13(6-4-12)25-9-17(23)22-18-21-16(10-26-18)11-2-7-14(19)15(20)8-11/h2-8,10H,9H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,4,8,5,7,21,24,10,17,19,3,6,22,23,16,11,14,26,25,15,13,12,2,9,18/E:(3,4)(5,6)/rA:26nCOCCCCCCOCCONCNCCSCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14F2N2O3S |
All Atoms: | 40 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.69491 |
Area: | 572.702 |
Solvation: | -7.62264 |
Coulombic: | -47.4464 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 376.378 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.75 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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