Chemical ID: 5447712

CCOC(=O)c1c(c2c(=O)[nH]c(nc2s1)CN3CCOCC3)C
Chemical ID:
5447712
Name [?]:
ethyl 9-methyl-4-(morpholinomethyl)-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2c(=O)[nH]c(nc2s1)CN3CCOCC3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H19N3O4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.94351
Area:529.582
Solvation:-4.29604
Coulombic:-57.9646
Bond Count [?]
All:25
Single:20
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.395
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-0.5
LogP (Chemaxon):0.63

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