Chemical ID: 4610880

c1cc(cc(c1)OCC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl)C(F)(F)F
Chemical ID:
4610880
Name [?]:
N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]-acetamide
SMILES [?]:
c1cc(cc(c1)OCC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl)C(F)(F)F
InChi [?]:
InChI=1/C19H13Cl2F3N2O2S/c20-13-4-5-16(21)11(6-13)7-15-9-25-18(29-15)26-17(27)10-28-14-3-1-2-12(8-14)19(22,23)24/h1-6,8-9H,7,10H2,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,22,19,17,4,14,8,18,3,20,5,15,23,9,12,26,25,24,27,28,29,13,11,10,7,16/E:(22,23,24)/rA:29nCCCCCCOCCONCNCCSCCCCCCCClClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;s3;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13Cl2F3N2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.0555
Area:646.828
Solvation:-6.11524
Coulombic:-52.1506
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:461.285
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.8
LogP (Chemaxon):5.74

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