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Chemical ID: 6009116
Chemical ID:
6009116
Name [?]:
N-hexyl-N-(thiazol-2-ylcarbamoylmethyl)-4-(trifluoromethyl)benzamide
SMILES [?]:
CCCCCCN(CC(=O)Nc1nccs1)C(=O)c2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C19H22F3N3O2S/c1-2-3-4-5-11-25(13-16(26)24-18-23-10-12-28-18)17(27)14-6-8-15(9-7-14)19(20,21)22/h6-10,12H,2-5,11,13H2,1H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,20,24,21,23,14,6,15,8,19,22,9,17,12,25,26,27,28,13,11,7,10,18,16/E:(6,7)(8,9)(20,21,22)/rA:28nCCCCCCNCCONCNCCSCOCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s7;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22F3N3O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7993 |
Area: | 629.709 |
Solvation: | -4.94338 |
Coulombic: | -61.9546 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 413.458 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.29 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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