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Chemical ID: 7523532
Chemical ID:
7523532
Name [?]:
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ncc(s1)Cc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C15H14ClF3N2OS/c1-8(2)13(22)21-14-20-7-11(23-14)6-9-5-10(15(17,18)19)3-4-12(9)16/h3-5,7-8H,6H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,14,12,9,2,13,15,10,18,4,7,20,19,21,22,23,8,6,5,11/E:(1,2)(17,18,19)/rA:23nCCCCONCNCCSCCCCCCCClCFFF/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s7s10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClF3N2OS |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.55959 |
Area: | 528.205 |
Solvation: | -3.64554 |
Coulombic: | -44.5968 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.32 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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