Chemical ID: 6031368

CCCCNC(=O)c1csc(n1)CN(Cc2ccc(cc2)OC)Cc3cccc(c3)C(F)(F)F
Chemical ID:
6031368
Name [?]:
N-butyl-2-[[(4-methoxyphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiazole-4-carboxamide
SMILES [?]:
CCCCNC(=O)c1csc(n1)CN(Cc2ccc(cc2)OC)Cc3cccc(c3)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H28F3N3O2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.8453
Area:742.547
Solvation:-4.71835
Coulombic:-62.0411
Bond Count [?]
All:36
Single:27
Double:9
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:491.57
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.32
LogP (Chemaxon):5.23

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