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Chemical ID: 5466183
Chemical ID:
5466183
Name [?]:
N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]cyclopropanecarboxamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)Cc2cnc(s2)NC(=O)C3CC3
InChi [?]:
InChI=1/C15H13F3N2OS/c16-15(17,18)11-3-1-2-9(6-11)7-12-8-19-14(22-12)20-13(21)10-4-5-10/h1-3,6,8,10H,4-5,7H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,22,4,11,13,3,20,5,12,18,15,7,8,9,10,14,17,19,16/E:(4,5)(16,17,18)/rA:22nCCCCCCCFFFCCCNCSNCOCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;s11;d12;s13;d14;s12s15;s15;s17;d18;s18;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13F3N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94486 |
Area: | 506.084 |
Solvation: | -3.70724 |
Coulombic: | -44.3081 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 326.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.36 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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