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Chemical ID: 4815139
Chemical ID:
4815139
Name [?]:
2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(ccc1Cc2cnc(s2)NC(=O)COc3ccc(cc3)Cl)F
InChi [?]:
InChI=1/C18H14ClFN2O2S/c19-13-3-7-15(8-4-13)24-11-17(23)22-18-21-10-16(25-18)9-12-1-5-14(20)6-2-12/h1-8,10H,9,11H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,20,22,2,4,19,23,7,9,16,6,21,3,18,8,14,11,24,25,10,13,15,17,12/E:(1,2)(3,4)(5,6)(7,8)/rA:25nCCCCCCCCCNCSNCOCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClFN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57884 |
Area: | 590.084 |
Solvation: | -6.17326 |
Coulombic: | -37.2375 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.833 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.41 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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