Chemical ID: 5915803

COCC(=O)N(CC1CCCO1)CC(=O)N(Cc2ccccc2)Cc3cccs3
Chemical ID:
5915803
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-2-methoxy-N-(tetrahydrofuran-2-ylmethyl)acetamide
SMILES [?]:
COCC(=O)N(CC1CCCO1)CC(=O)N(Cc2ccccc2)Cc3cccs3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H28N2O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.57029
Area:647.143
Solvation:-7.60828
Coulombic:-49.3694
Bond Count [?]
All:31
Single:24
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:416.535
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.48
LogP (Chemaxon):1.55

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