Chemical ID: 4844513

CCN1C(=O)C(N(C1=S)Cc2ccc3c(c2)OCO3)CC(=O)Nc4ccc(cc4)C(=O)OCC
Chemical ID:
4844513
Name [?]:
ethyl 4-[2-[3-(benzo[1,3]dioxol-5-ylmethyl)-1-ethyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]aminobenzoate
SMILES [?]:
CCN1C(=O)C(N(C1=S)Cc2ccc3c(c2)OCO3)CC(=O)Nc4ccc(cc4)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H25N3O6S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.635
Area:711.922
Solvation:-5.16304
Coulombic:-81.0002
Bond Count [?]
All:37
Single:27
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:483.538
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.15
LogP (Chemaxon):3.03

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