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Chemical ID: 7523269
Chemical ID:
7523269
Name [?]:
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]cyclopropanecarboxamide
SMILES [?]:
c1cc(c(cc1Cc2cnc(s2)NC(=O)C3CC3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C15H12ClF3N2OS/c16-12-4-1-8(6-11(12)15(17,18)19)5-10-7-20-14(23-10)21-13(22)9-2-3-9/h1,4,6-7,9H,2-3,5H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,17,18,2,7,5,9,6,16,8,4,3,14,11,19,23,20,21,22,10,13,15,12/E:(2,3)(17,18,19)/rA:23nCCCCCCCCCNCSNCOCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s16s17;s4;s19;s19;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClF3N2OS |
All Atoms: | 35 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.42693 |
Area: | 528.915 |
Solvation: | -3.79594 |
Coulombic: | -43.7811 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.98 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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