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Chemical ID: 7523602
Chemical ID:
7523602
Name [?]:
2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2ncc(s2)Cc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C19H15F3N2OS/c1-12-5-2-3-8-16(12)17(25)24-18-23-11-15(26-18)10-13-6-4-7-14(9-13)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,4,5,19,3,18,20,6,22,16,13,2,17,21,14,7,8,11,23,24,25,26,12,10,9,15/E:(20,21,22)/rA:26nCCCCCCCCONCNCCSCCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15F3N2OS |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5004 |
Area: | 559.432 |
Solvation: | -3.48544 |
Coulombic: | -47.2815 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.31 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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