Chemical ID: 6886594

CCOCCOC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)OC
Chemical ID:
6886594
Name [?]:
2-ethoxyethyl 2-[7-(4-methoxyphenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]acetate
SMILES [?]:
CCOCCOC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20N2O5S
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.67697
Area:609.77
Solvation:-6.56728
Coulombic:-54.9265
Bond Count [?]
All:29
Single:21
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:388.439
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.9
LogP (Chemaxon):2.15

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