Chemical ID: 5993793

CCN1C(=C(C(NC1=S)c2cccc(c2)NC(=O)c3ccc4c(c3)OCO4)C(=O)OCCOC)C
Chemical ID:
5993793
Name [?]:
2-methoxyethyl 4-(3-benzo[1,3]dioxol-5-ylcarbonylaminophenyl)-1-ethyl-6-methyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCN1C(=C(C(NC1=S)c2cccc(c2)NC(=O)c3ccc4c(c3)OCO4)C(=O)OCCOC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H27N3O6S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.0123
Area:687.783
Solvation:-6.18223
Coulombic:-83.7701
Bond Count [?]
All:38
Single:28
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:497.565
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:3.33
LogP (Chemaxon):2.12

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