Chemical ID: 6007477

CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F
Chemical ID:
6007477
Name [?]:
N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-3,5-bis(trifluoromethyl)benzamide
SMILES [?]:
CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C20H21F6N3O2S/c1-3-4-5-6-29(11-16(30)28-18-27-10-12(2)32-18)17(31)13-7-14(19(21,22)23)9-15(8-13)20(24,25)26/h7-10H,3-6,11H2,1-2H3,(H,27,28,30)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,4,5,20,24,22,13,7,14,19,21,23,8,17,11,29,25,30,31,32,26,27,28,12,10,6,9,18,15/E:(7,8)(14,15)(19,20)(21,22,23,24,25,26)/rA:32nCCCCCNCCONCNCCSCCOCCCCCCCFFFCFFF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s6;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;s21;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21F6N3O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.2088
Area:647.138
Solvation:-5.96965
Coulombic:-78.2785
Bond Count [?]
All:33
Single:26
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:481.456
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.5
LogP (Chemaxon):4.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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