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Chemical ID: 5881979
Chemical ID:
5881979
Name [?]:
N-(6-methylbenzothiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILES [?]:
Cc1ccc2c(c1)sc(n2)NC(=O)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C16H11F3N2OS/c1-9-5-6-12-13(7-9)23-15(20-12)21-14(22)10-3-2-4-11(8-10)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,3,4,7,19,2,14,18,5,6,12,9,20,21,22,23,10,11,13,8/E:(17,18,19)/rA:23nCCCCCCCSCNNCOCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11F3N2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32298 |
Area: | 501.264 |
Solvation: | -3.20863 |
Coulombic: | -46.7513 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 336.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.26 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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