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Chemical ID: 7519120
Chemical ID:
7519120
Name [?]:
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)C(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C16H10ClF3N2OS2/c17-12-4-3-10(16(18,19)20)6-9(12)7-11-8-21-15(25-11)22-14(23)13-2-1-5-24-13/h1-6,8H,7H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,5,16,14,11,15,17,12,20,3,6,9,22,21,23,24,25,10,8,7,4,13/E:(18,19,20)/rA:25nCCCSCCONCNCCSCCCCCCCClCFFF/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10ClF3N2OS2 |
All Atoms: | 35 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7866 |
Area: | 565.34 |
Solvation: | -3.34696 |
Coulombic: | -47.0598 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.52 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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