Chemical ID: 6009116

CCCCCCN(CC(=O)Nc1nccs1)C(=O)c2ccc(cc2)C(F)(F)F
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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Descriptor Annotations

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