Chemical ID: 4499751

CCC(C(=O)Nc1ccc(cc1)C(=O)OCC)Sc2[nH]c(=O)cc(n2)N
Chemical ID:
4499751
Name [?]:
ethyl 4-[2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]benzoate
SMILES [?]:
CCC(C(=O)Nc1ccc(cc1)C(=O)OCC)Sc2[nH]c(=O)cc(n2)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H20N4O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.6763
Area:594.564
Solvation:-4.18776
Coulombic:-82.6405
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:376.431
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:0.93
LogP (Chemaxon):2.38

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