Chemical ID: 6025889

CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)NC(C)(C)C
Chemical ID:
6025889
Name [?]:
N-[(4-fluorophenyl)methyl]-2-(isopropyl-(tert-butylcarbamoyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C22H30FN3O2S/c1-16(2)26(21(28)24-22(3,4)5)15-20(27)25(14-19-7-6-12-29-19)13-17-8-10-18(23)11-9-17/h6-12,16H,13-15H2,1-5H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,3,27,28,29,20,19,11,15,12,14,21,9,17,5,2,10,13,18,6,23,26,16,25,8,4,7,24,22/E:(1,2)(3,4,5)(8,9)(10,11)/rA:29nCCCNCCONCCCCCCCFCCCCCSCONCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30FN3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6197
Area:624.762
Solvation:-3.9993
Coulombic:-52.659
Bond Count [?]
All:30
Single:23
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:419.557
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.63
LogP (Chemaxon):3.3

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue