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Chemical ID: 4610880
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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