ChemDB: Chemical Search
Download
Chemical ID: 6007477
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|