Chemical ID: 6132356

COc1ccc(cc1)CCN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)NCCc4ccccc4
Chemical ID:
6132356
Name [?]:
2-(4-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-N-phenethyl-1,3-thiazinane-6-carboxamide
SMILES [?]:
COc1ccc(cc1)CCN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)NCCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H28FN3O3S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.3932
Area:742.777
Solvation:-6.17619
Coulombic:-54.9431
Bond Count [?]
All:39
Single:27
Double:12
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:505.605
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.1
LogP (Chemaxon):5.66

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